 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer02_B3LYPDBJ-augccpVDZr.in
 Output=12_L-valine_conformer02_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/Gau-13718.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13764.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=12_L-valine_conformer02_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:30:48 2021, MaxMem=  6442450944 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer02_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.993585000000     -1.745239000000      0.239671000000
  C                                                 1.146313000000     -0.227898000000      0.348170000000
  C                                                 0.022230000000      0.528321000000     -0.394337000000
  C                                                -1.334181000000     -0.019042000000      0.029559000000
  O                                                -1.895092000000     -0.819097000000     -0.904886000000
  C                                                 2.512610000000      0.221644000000     -0.165139000000
  N                                                 0.120252000000      1.961163000000     -0.137216000000
  O                                                -1.871612000000      0.224745000000      1.080003000000
  H                                                 0.139200000000      0.359391000000     -1.466547000000
  H                                                 1.057344000000      0.051271000000      1.404065000000
  H                                                -2.740016000000     -1.132676000000     -0.543174000000
  H                                                -0.508250000000      2.478404000000     -0.740521000000
  H                                                -0.164535000000      2.150467000000      0.818641000000
  H                                                 3.309830000000     -0.231043000000      0.427299000000
  H                                                 2.652415000000     -0.089583000000     -1.204317000000
  H                                                 2.612209000000      1.304246000000     -0.118207000000
  H                                                 0.069521000000     -2.102603000000      0.696299000000
  H                                                 0.997459000000     -2.065164000000     -0.805227000000
  H                                                 1.823354000000     -2.242758000000      0.743721000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Sun Sep 26 19:30:48 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.993585   -1.745239    0.239671
      2          6           0        1.146313   -0.227898    0.348170
      3          6           0        0.022230    0.528321   -0.394337
      4          6           0       -1.334181   -0.019042    0.029559
      5          8           0       -1.895092   -0.819097   -0.904886
      6          6           0        2.512610    0.221644   -0.165139
      7          7           0        0.120252    1.961163   -0.137216
      8          8           0       -1.871612    0.224745    1.080003
      9          1           0        0.139200    0.359391   -1.466547
     10          1           0        1.057344    0.051271    1.404065
     11          1           0       -2.740016   -1.132676   -0.543174
     12          1           0       -0.508250    2.478404   -0.740521
     13          1           0       -0.164535    2.150467    0.818641
     14          1           0        3.309830   -0.231043    0.427299
     15          1           0        2.652415   -0.089583   -1.204317
     16          1           0        2.612209    1.304246   -0.118207
     17          1           0        0.069521   -2.102603    0.696299
     18          1           0        0.997459   -2.065164   -0.805227
     19          1           0        1.823354   -2.242758    0.743721
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528863   0.000000
     3  C    2.552366   1.544910   0.000000
     4  C    2.905580   2.509579   1.522874   0.000000
     5  O    3.242253   3.342127   2.398399   1.351997   0.000000
     6  C    2.517923   1.527201   2.519638   3.859228   4.588922
     7  N    3.826509   2.465844   1.459026   2.462600   3.518632
     8  O    3.577198   3.138206   2.419189   1.204864   2.242753
     9  H    2.840884   2.156938   1.091720   2.133635   2.417156
    10  H    2.141805   1.095794   2.129152   2.759276   3.847814
    11  H    3.863658   4.088603   3.226618   1.882704   0.971115
    12  H    4.588621   3.353639   2.050384   2.740880   3.581042
    13  H    4.105237   2.756136   2.034098   2.587951   3.844956
    14  H    2.773623   2.164966   3.472756   4.665831   5.404788
    15  H    2.752819   2.167416   2.820593   4.173772   4.615373
    16  H    3.470933   2.171134   2.717775   4.164963   5.044126
    17  H    1.090923   2.189793   2.848418   2.599259   2.840930
    18  H    1.092785   2.174403   2.801083   3.212480   3.151106
    19  H    1.090921   2.162061   3.495440   3.927463   4.309473
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.958054   0.000000
     8  O    4.557608   2.909346   0.000000
     9  H    2.710297   2.081623   3.247524   0.000000
    10  H    2.146911   2.627047   2.951930   3.029577   0.000000
    11  H    5.437571   4.232939   2.287230   3.371760   4.428703
    12  H    3.814397   1.013178   3.201881   2.331635   3.597403
    13  H    3.443151   1.015186   2.586663   2.919297   2.498466
    14  H    1.091544   3.911247   5.242242   3.740075   2.471329
    15  H    1.093754   3.428719   5.077769   2.566436   3.060678
    16  H    1.088186   2.577159   4.765048   2.970950   2.510949
    17  H    3.480357   4.148676   3.054795   3.277830   2.473035
    18  H    2.816893   4.174571   4.126663   2.655639   3.060042
    19  H    2.715581   4.620558   4.455831   3.806946   2.507069
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.249662   0.000000
    13  H    4.389382   1.629929   0.000000
    14  H    6.193173   4.825209   4.230361   0.000000
    15  H    5.532040   4.098715   4.128606   1.764760   0.000000
    16  H    5.896227   3.391635   3.050259   1.772389   1.767487
    17  H    3.220334   4.835690   4.261262   3.751626   3.786282
    18  H    3.860949   4.786999   4.664625   3.198465   2.607887
    19  H    4.869571   5.470715   4.822628   2.521256   3.019662
                   16         17         18         19
    16  H    0.000000
    17  H    4.328430   0.000000
    18  H    3.798992   1.765517   0.000000
    19  H    3.734495   1.760063   1.764336   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.89D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.993585   -1.745239    0.239671
      2          6           0        1.146313   -0.227898    0.348170
      3          6           0        0.022230    0.528321   -0.394337
      4          6           0       -1.334181   -0.019042    0.029559
      5          8           0       -1.895092   -0.819097   -0.904886
      6          6           0        2.512610    0.221644   -0.165139
      7          7           0        0.120252    1.961163   -0.137216
      8          8           0       -1.871612    0.224745    1.080003
      9          1           0        0.139200    0.359391   -1.466547
     10          1           0        1.057344    0.051271    1.404065
     11          1           0       -2.740016   -1.132676   -0.543174
     12          1           0       -0.508250    2.478404   -0.740521
     13          1           0       -0.164535    2.150467    0.818641
     14          1           0        3.309830   -0.231043    0.427299
     15          1           0        2.652415   -0.089583   -1.204317
     16          1           0        2.612209    1.304246   -0.118207
     17          1           0        0.069521   -2.102603    0.696299
     18          1           0        0.997459   -2.065164   -0.805227
     19          1           0        1.823354   -2.242758    0.743721
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.8120243           1.5720449           1.2312158
 Leave Link  202 at Sun Sep 26 19:30:48 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.1252170652 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0282900324 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.0969270328 Hartrees.
 Leave Link  301 at Sun Sep 26 19:30:51 2021, MaxMem=  6442450944 cpu:              17.8 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.86D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Sun Sep 26 19:30:52 2021, MaxMem=  6442450944 cpu:               4.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:30:52 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer02_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:30:53 2021, MaxMem=  6442450944 cpu:               4.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442266785 LenY=  6442176943
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.456956538165    
 DIIS: error= 1.92D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.456956538165     IErMin= 1 ErrMin= 1.92D-03
 ErrMax= 1.92D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.97D-03 BMatP= 4.97D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.92D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.248 Goal=   None    Shift=    0.000
 GapD=    0.248 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.80D-02 MaxDP=1.78D+00              OVMax= 2.14D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.72D-02    CP:  1.20D+00
 E= -402.461654593588     Delta-E=       -0.004698055422 Rises=F Damp=F
 DIIS: error= 4.03D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.461654593588     IErMin= 2 ErrMin= 4.03D-04
 ErrMax= 4.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.25D-05 BMatP= 4.97D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.03D-03
 Coeff-Com:  0.570D-02 0.994D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.567D-02 0.994D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=6.28D-04 MaxDP=6.06D-02 DE=-4.70D-03 OVMax= 3.51D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.79D-04    CP:  1.21D+00  1.03D+00
 E= -402.461569840050     Delta-E=        0.000084753538 Rises=F Damp=F
 DIIS: error= 5.34D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.461654593588     IErMin= 2 ErrMin= 4.03D-04
 ErrMax= 5.34D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-04 BMatP= 9.25D-05
 IDIUse=3 WtCom= 3.02D-01 WtEn= 6.98D-01
 Coeff-Com: -0.117D-01 0.619D+00 0.393D+00
 Coeff-En:   0.000D+00 0.665D+00 0.335D+00
 Coeff:     -0.353D-02 0.651D+00 0.352D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=8.82D-05 MaxDP=5.29D-03 DE= 8.48D-05 OVMax= 2.40D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.45D-05    CP:  1.21D+00  1.03D+00  9.12D-01
 E= -402.461729207368     Delta-E=       -0.000159367318 Rises=F Damp=F
 DIIS: error= 6.86D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.461729207368     IErMin= 4 ErrMin= 6.86D-05
 ErrMax= 6.86D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-06 BMatP= 9.25D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.598D-02 0.267D+00 0.149D+00 0.591D+00
 Coeff:     -0.598D-02 0.267D+00 0.149D+00 0.591D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=3.01D-05 MaxDP=2.39D-03 DE=-1.59D-04 OVMax= 5.08D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.85D-05    CP:  1.21D+00  1.04D+00  9.32D-01  1.07D+00
 E= -402.461730614633     Delta-E=       -0.000001407264 Rises=F Damp=F
 DIIS: error= 4.35D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.461730614633     IErMin= 5 ErrMin= 4.35D-05
 ErrMax= 4.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-06 BMatP= 3.00D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.152D-02 0.342D-01 0.104D-01 0.413D+00 0.544D+00
 Coeff:     -0.152D-02 0.342D-01 0.104D-01 0.413D+00 0.544D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=1.30D-05 MaxDP=9.04D-04 DE=-1.41D-06 OVMax= 2.70D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.81D-06    CP:  1.21D+00  1.04D+00  9.48D-01  1.11D+00  9.07D-01
 E= -402.461731652166     Delta-E=       -0.000001037534 Rises=F Damp=F
 DIIS: error= 6.72D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.461731652166     IErMin= 6 ErrMin= 6.72D-06
 ErrMax= 6.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.73D-08 BMatP= 1.44D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.436D-03 0.933D-03-0.386D-02 0.186D+00 0.295D+00 0.523D+00
 Coeff:     -0.436D-03 0.933D-03-0.386D-02 0.186D+00 0.295D+00 0.523D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=2.60D-06 MaxDP=7.81D-05 DE=-1.04D-06 OVMax= 5.33D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.26D-06    CP:  1.21D+00  1.04D+00  9.50D-01  1.12D+00  8.63D-01
                    CP:  9.02D-01
 E= -402.461731710057     Delta-E=       -0.000000057890 Rises=F Damp=F
 DIIS: error= 1.41D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.461731710057     IErMin= 7 ErrMin= 1.41D-06
 ErrMax= 1.41D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-09 BMatP= 6.73D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.294D-04-0.318D-02-0.262D-02 0.390D-01 0.705D-01 0.214D+00
 Coeff-Com:  0.683D+00
 Coeff:     -0.294D-04-0.318D-02-0.262D-02 0.390D-01 0.705D-01 0.214D+00
 Coeff:      0.683D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=8.84D-07 MaxDP=5.97D-05 DE=-5.79D-08 OVMax= 1.22D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.76D-07    CP:  1.21D+00  1.04D+00  9.51D-01  1.12D+00  8.78D-01
                    CP:  9.33D-01  8.67D-01
 E= -402.461731712556     Delta-E=       -0.000000002499 Rises=F Damp=F
 DIIS: error= 3.84D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.461731712556     IErMin= 8 ErrMin= 3.84D-07
 ErrMax= 3.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.44D-11 BMatP= 2.63D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.130D-04-0.910D-03-0.512D-03 0.198D-02 0.467D-02 0.324D-01
 Coeff-Com:  0.208D+00 0.754D+00
 Coeff:      0.130D-04-0.910D-03-0.512D-03 0.198D-02 0.467D-02 0.324D-01
 Coeff:      0.208D+00 0.754D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=2.09D-07 MaxDP=1.28D-05 DE=-2.50D-09 OVMax= 2.45D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.43D-07    CP:  1.21D+00  1.04D+00  9.51D-01  1.12D+00  8.79D-01
                    CP:  9.38D-01  8.93D-01  8.65D-01
 E= -402.461731712643     Delta-E=       -0.000000000087 Rises=F Damp=F
 DIIS: error= 1.31D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.461731712643     IErMin= 9 ErrMin= 1.31D-07
 ErrMax= 1.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-11 BMatP= 9.44D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.800D-05-0.261D-03-0.100D-03-0.105D-02-0.145D-02 0.358D-02
 Coeff-Com:  0.604D-01 0.352D+00 0.587D+00
 Coeff:      0.800D-05-0.261D-03-0.100D-03-0.105D-02-0.145D-02 0.358D-02
 Coeff:      0.604D-01 0.352D+00 0.587D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=5.35D-08 MaxDP=3.99D-06 DE=-8.69D-11 OVMax= 1.09D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.32D-08    CP:  1.21D+00  1.04D+00  9.51D-01  1.12D+00  8.79D-01
                    CP:  9.40D-01  8.96D-01  9.03D-01  7.93D-01
 E= -402.461731712668     Delta-E=       -0.000000000026 Rises=F Damp=F
 DIIS: error= 3.50D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.461731712668     IErMin=10 ErrMin= 3.50D-08
 ErrMax= 3.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.34D-13 BMatP= 1.41D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.198D-05-0.318D-04 0.726D-05-0.698D-03-0.108D-02-0.124D-02
 Coeff-Com:  0.906D-02 0.874D-01 0.237D+00 0.670D+00
 Coeff:      0.198D-05-0.318D-04 0.726D-05-0.698D-03-0.108D-02-0.124D-02
 Coeff:      0.906D-02 0.874D-01 0.237D+00 0.670D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=1.02D-08 MaxDP=7.81D-07 DE=-2.56D-11 OVMax= 2.77D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.29D-09    CP:  1.21D+00  1.04D+00  9.51D-01  1.12D+00  8.79D-01
                    CP:  9.40D-01  8.96D-01  9.08D-01  8.12D-01  9.52D-01
 E= -402.461731712665     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 1.22D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -402.461731712668     IErMin=11 ErrMin= 1.22D-08
 ErrMax= 1.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-13 BMatP= 7.34D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.563D-06-0.119D-05 0.918D-05-0.252D-03-0.362D-03-0.711D-03
 Coeff-Com:  0.658D-03 0.186D-01 0.783D-01 0.357D+00 0.546D+00
 Coeff:      0.563D-06-0.119D-05 0.918D-05-0.252D-03-0.362D-03-0.711D-03
 Coeff:      0.658D-03 0.186D-01 0.783D-01 0.357D+00 0.546D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=3.68D-09 MaxDP=3.01D-07 DE= 3.64D-12 OVMax= 1.21D-07

 SCF Done:  E(RB3LYP) =  -402.461731713     A.U. after   11 cycles
            NFock= 11  Conv=0.37D-08     -V/T= 2.0061
 KE= 4.000129239109D+02 PE=-1.753569536709D+03 EE= 5.439979540528D+02
 Leave Link  502 at Sun Sep 26 19:33:11 2021, MaxMem=  6442450944 cpu:            1101.9 elap:             137.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.69556147D+02

 Leave Link  801 at Sun Sep 26 19:33:11 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 2.54D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 2.49D-01 7.55D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.99D-02 3.47D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.47D-03 8.85D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 8.31D-05 2.17D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 2.07D-06 2.74D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 4.21D-08 3.66D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 5.29D-10 3.64D-06.
      9 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 5.26D-12 3.05D-07.
      3 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 2.80D-14 2.34D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.912418D+02
      2  0.317564D+01  0.832258D+02
      3 -0.120641D+01  0.190634D+01  0.732720D+02
 Isotropic polarizability for W=    0.088559       82.58 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.764960D+02 -0.218481D+02  0.676346D+01
      2  -0.333942D+02  0.159847D+02 -0.304984D+01
      3  -0.431018D+02  0.586343D+01 -0.371361D+01
      4  -0.268165D+02  0.600769D+02 -0.179640D+02
      5   0.581310D+01 -0.188187D+02  0.331971D+02
      6  -0.610612D+01 -0.251739D+01 -0.103706D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.172947D+01 -0.679760D+00  0.152629D+01
      2   0.300362D+01 -0.518959D+01  0.235743D+02
      3   0.801091D+01 -0.369530D+02  0.599122D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.854640D+00  0.532450D+00  0.162340D+02
      2   0.950359D+00 -0.118579D+02  0.762989D+02
      3  -0.496836D+01 -0.934711D+02  0.127126D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.187157D+00 -0.395615D+00 -0.976090D+00
      2  -0.395615D+00 -0.833609D+00  0.119814D+01
      3  -0.976090D+00  0.119814D+01 -0.281387D+00
 OR G Eigenvalues:    -1.8418    -0.5649     1.4789  Iso=     0.3093
 Eigenvectors:
   (1)  -0.180233   0.722487  -0.667479
   (2)   0.761083   0.532311   0.370671
   (3)  -0.623112   0.441200   0.645813
 w=    0.088559 a.u., Optical Rotation Beta=      0.3093 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      133.87 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.78D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.65D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.84D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.45D-02 3.16D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 4.07D-04 2.55D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 5.00D-06 2.95D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 6.27D-08 3.48D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.40D-10 1.34D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 4.63D-13 5.41D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.78D-15
 Solved reduced A of dimension   210 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 1.47D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 1.47D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.32D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.912418D+02  0.317564D+01 -0.120641D+01
      2   0.317564D+01  0.832258D+02  0.190634D+01
      3  -0.120641D+01  0.190634D+01  0.732720D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.172947D+01 -0.679760D+00  0.152629D+01
      2   0.300362D+01 -0.518959D+01  0.235743D+02
      3   0.801091D+01 -0.369530D+02  0.599122D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.764960D+02 -0.218481D+02  0.676346D+01
      2  -0.333942D+02  0.159847D+02 -0.304984D+01
      3  -0.431018D+02  0.586343D+01 -0.371361D+01
      4  -0.268165D+02  0.600769D+02 -0.179640D+02
      5   0.581310D+01 -0.188187D+02  0.331971D+02
      6  -0.610612D+01 -0.251739D+01 -0.103706D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.885574D+00  0.492591D+01 -0.401743D+01  0.386795D+01 -0.111395D+01
      2   0.492591D+01 -0.153094D+01  0.552498D+00 -0.111395D+01 -0.362573D+01
      3  -0.401743D+01  0.552498D+00 -0.288777D+00  0.438340D+00 -0.301906D+00
                 6             7             8             9            10 
      1   0.438340D+00 -0.439057D+01  0.476008D+00 -0.465547D+00  0.373154D+00
      2  -0.301906D+00  0.476008D+00 -0.889290D+00  0.385740D+01 -0.470995D+01
      3   0.280178D+01 -0.465547D+00  0.385740D+01  0.468689D+01  0.242881D+01
                11            12            13            14            15 
      1  -0.470995D+01  0.242881D+01 -0.715368D+01  0.147721D+01 -0.337028D-01
      2   0.221414D+01 -0.107556D+00  0.147721D+01  0.479992D+01 -0.363717D+00
      3  -0.107556D+00  0.811059D+00 -0.337028D-01 -0.363717D+00 -0.257560D+01
                16            17            18            19            20 
      1   0.562940D+01  0.235189D-01  0.126639D+01 -0.340262D+00  0.664053D+01
      2   0.235189D-01  0.737136D+00 -0.298393D+01  0.664053D+01  0.225284D+00
      3   0.126639D+01 -0.298393D+01 -0.834696D+01 -0.521480D+00  0.313098D+00
                21            22            23            24            25 
      1  -0.521480D+00  0.457064D+01 -0.881574D+00  0.486479D+00 -0.514048D+01
      2   0.313098D+00 -0.881574D+00 -0.298302D+01  0.208525D+00 -0.643258D+00
      3  -0.724889D+00  0.486479D+00  0.208525D+00  0.154430D+01 -0.919046D+00
                26            27            28            29            30 
      1  -0.643258D+00 -0.919046D+00 -0.240523D+01 -0.294520D+01 -0.547427D+00
      2  -0.236704D+01  0.164877D+01 -0.294520D+01  0.104189D+01  0.766919D+00
      3   0.164877D+01  0.670350D+01 -0.547427D+00  0.766919D+00  0.185454D+01
                31            32            33            34            35 
      1  -0.277883D+01 -0.748892D+00  0.135296D+01 -0.394104D+01  0.415207D+00
      2  -0.748892D+00 -0.145485D+01  0.540658D+00  0.415207D+00 -0.120462D+00
      3   0.135296D+01  0.540658D+00 -0.236712D+00  0.308568D+01  0.192877D+00
                36            37            38            39            40 
      1   0.308568D+01  0.760298D+01  0.345088D+01 -0.153785D+01  0.312931D+01
      2   0.192877D+00  0.345088D+01  0.216798D+01 -0.101941D+00  0.173276D+01
      3  -0.400318D+01 -0.153785D+01 -0.101941D+00 -0.192925D+00 -0.611168D+00
                41            42            43            44            45 
      1   0.173276D+01 -0.611168D+00 -0.348941D+01 -0.150174D+01 -0.226841D+01
      2  -0.119860D+01 -0.174475D+01 -0.150174D+01 -0.282625D+01 -0.162117D+01
      3  -0.174475D+01 -0.568985D+00 -0.226841D+01 -0.162117D+01 -0.404817D+01
                46            47            48            49            50 
      1   0.699541D-01  0.353911D+01 -0.343493D+01  0.474272D+01 -0.202296D+01
      2   0.353911D+01 -0.760773D+00  0.315092D+00 -0.202296D+01 -0.594910D+01
      3  -0.343493D+01  0.315092D+00 -0.172084D+01  0.575027D+00 -0.346987D+00
                51            52            53            54            55 
      1   0.575027D+00 -0.608361D+01  0.207077D+00 -0.301633D+01  0.227464D+01
      2  -0.346987D+00  0.207077D+00 -0.662900D+00  0.248072D+01 -0.318142D+01
      3   0.278836D+01 -0.301633D+01  0.248072D+01  0.553352D+01  0.121033D+01
                56            57            58            59            60 
      1  -0.318142D+01  0.121033D+01 -0.156674D+01  0.255030D+01 -0.105597D+01
      2   0.282449D+01 -0.593961D+00  0.255030D+01  0.321686D+01  0.577035D+00
      3  -0.593961D+00  0.245861D+01 -0.105597D+01  0.577035D+00 -0.151746D+01
                61            62            63            64            65 
      1   0.192217D+01 -0.143946D+01  0.274112D+01 -0.471546D+01  0.754102D+00
      2  -0.143946D+01  0.767730D+00 -0.178165D+01  0.754102D+00 -0.190662D+01
      3   0.274112D+01 -0.178165D+01 -0.315555D+01  0.343149D+01 -0.689137D+00
                66            67            68            69            70 
      1   0.343149D+01  0.196712D+01 -0.113921D+01 -0.779174D+00  0.672846D+01
      2  -0.689137D+00 -0.113921D+01  0.228573D+01  0.185430D+01  0.435207D+00
      3  -0.270390D+01 -0.779174D+00  0.185430D+01  0.702323D+00 -0.375781D+01
                71            72            73            74            75 
      1   0.435207D+00 -0.375781D+01  0.636143D+00 -0.685589D+00 -0.105517D+01
      2   0.373659D+01  0.538107D+00 -0.685589D+00  0.321677D+00  0.490639D-02
      3   0.538107D+00  0.874714D+01 -0.105517D+01  0.490639D-02  0.981554D+00
                76            77            78            79            80 
      1  -0.922960D+00  0.227544D+00 -0.226644D-01 -0.118149D+01  0.217616D+00
      2   0.227544D+00  0.229541D+00 -0.102555D+01  0.217616D+00 -0.130405D+01
      3  -0.226644D-01 -0.102555D+01 -0.785657D+00  0.424457D+00 -0.234022D+00
                81            82            83            84            85 
      1   0.424457D+00 -0.464971D+00  0.944024D+00  0.679754D+00  0.118251D+01
      2  -0.234022D+00  0.944024D+00 -0.435945D+00 -0.879410D-02 -0.224513D+00
      3  -0.753552D+01  0.679754D+00 -0.879410D-02 -0.208419D+00  0.369408D-01
                86            87            88            89            90 
      1  -0.224513D+00  0.369408D-01  0.135101D+01 -0.501309D-01  0.249672D-01
      2   0.204370D+00  0.131833D+01 -0.501309D-01  0.200749D+01  0.132035D+01
      3   0.131833D+01  0.160377D+01  0.249672D-01  0.132035D+01  0.811023D+01
                91            92            93            94            95 
      1  -0.103696D+02 -0.494038D+01 -0.888726D+00 -0.365789D+01 -0.273070D+01
      2  -0.494038D+01 -0.356609D+01 -0.560108D+00 -0.273070D+01 -0.256584D+01
      3  -0.888726D+00 -0.560108D+00 -0.140963D+01 -0.246928D+00 -0.481050D+00
                96            97            98            99           100 
      1  -0.246928D+00  0.273548D+01  0.134932D+01 -0.840041D+00 -0.190720D+01
      2  -0.481050D+00  0.134932D+01  0.790979D+00 -0.432786D+00  0.277010D+01
      3  -0.677989D+00 -0.840041D+00 -0.432786D+00 -0.116636D+00 -0.132151D+01
               101           102           103           104           105 
      1   0.277010D+01 -0.132151D+01  0.240285D+01 -0.248175D+01  0.122038D+01
      2  -0.345412D+01  0.155801D+01 -0.248175D+01  0.518829D+01 -0.167700D+01
      3   0.155801D+01 -0.141716D+01  0.122038D+01 -0.167700D+01  0.144548D+01
               106           107           108           109           110 
      1  -0.242949D+01  0.195131D+01 -0.170982D+01 -0.188084D+00  0.809564D+00
      2   0.195131D+01 -0.361980D+01  0.222895D+01  0.809564D+00 -0.847204D+00
      3  -0.170982D+01  0.222895D+01 -0.229158D+01  0.272922D+00 -0.584866D+00
               111           112           113           114           115 
      1   0.272922D+00  0.766118D+00 -0.317186D+00 -0.570479D+00  0.154411D+01
      2  -0.584866D+00 -0.317186D+00  0.177326D+01  0.938421D+00 -0.465548D+00
      3  -0.884552D+00 -0.570479D+00  0.938421D+00  0.129297D+01 -0.100541D+01
               116           117           118           119           120 
      1  -0.465548D+00 -0.100541D+01  0.746000D+01 -0.179615D+01  0.243816D+01
      2   0.318312D+01  0.223586D+01 -0.179615D+01  0.126143D+01 -0.584615D+00
      3   0.223586D+01  0.506884D+01  0.243816D+01 -0.584615D+00  0.186029D+01
               121           122           123           124           125 
      1  -0.370833D+01  0.183265D+01 -0.792017D+00  0.498235D+01 -0.761555D+00
      2   0.183265D+01 -0.784962D+00  0.757812D+00 -0.761555D+00  0.107994D+01
      3  -0.792017D+00  0.757812D+00 -0.113089D+01  0.246458D+01 -0.902657D+00
               126           127           128           129           130 
      1   0.246458D+01  0.118382D+01 -0.460954D+00 -0.841837D+00 -0.133464D+01
      2  -0.902657D+00 -0.460954D+00  0.237762D+00  0.113889D+00  0.687330D+00
      3   0.163350D+01 -0.841837D+00  0.113889D+00  0.876038D+00  0.492153D+00
               131           132           133           134           135 
      1   0.687330D+00  0.492153D+00 -0.237717D+01  0.189391D+00  0.260156D+01
      2  -0.262416D+00 -0.105894D+01  0.189391D+00 -0.143272D+01 -0.100433D+01
      3  -0.105894D+01 -0.169957D+01  0.260156D+01 -0.100433D+01 -0.720276D+01
               136           137           138           139           140 
      1   0.536709D+00  0.126004D+01  0.321421D+00  0.291361D+01  0.214902D+01
      2   0.126004D+01  0.124285D+01 -0.474237D-01  0.214902D+01  0.793024D+01
      3   0.321421D+00 -0.474237D-01  0.337131D+00 -0.177934D+00 -0.417937D-01
               141           142           143           144           145 
      1  -0.177934D+00  0.629815D+00  0.351067D-01  0.761094D+00 -0.513643D+01
      2  -0.417937D-01  0.351067D-01  0.236882D+00  0.673307D+00 -0.218775D+01
      3   0.881955D+00  0.761094D+00  0.673307D+00 -0.423087D+00  0.180654D+01
               146           147           148           149           150 
      1  -0.218775D+01  0.180654D+01 -0.164874D+01 -0.154003D+01  0.616359D+00
      2  -0.294433D+01  0.961033D+00 -0.154003D+01 -0.193862D+01  0.880278D+00
      3   0.961033D+00 -0.142732D+01  0.616359D+00  0.880278D+00 -0.100058D+01
               151           152           153           154           155 
      1   0.214316D+01  0.792695D+00 -0.118877D+01 -0.414799D-01 -0.924442D+00
      2   0.792695D+00  0.164546D+01 -0.146481D+01 -0.924442D+00  0.233518D+00
      3  -0.118877D+01 -0.146481D+01  0.117229D+01 -0.452054D+00  0.172479D-01
               156           157           158           159           160 
      1  -0.452054D+00 -0.576759D+00  0.167907D+00 -0.192569D-01 -0.992098D+00
      2   0.172479D-01  0.167907D+00 -0.163571D+01 -0.139708D+01  0.143096D+00
      3   0.168095D+00 -0.192569D-01 -0.139708D+01 -0.159405D+01  0.235965D+00
               161           162           163           164           165 
      1   0.143096D+00  0.235965D+00  0.454574D+01 -0.326242D+01  0.202898D+01
      2  -0.323652D+01 -0.281417D+01 -0.326242D+01  0.367499D+01 -0.132429D+01
      3  -0.281417D+01 -0.609521D+01  0.202898D+01 -0.132429D+01  0.163112D+01
               166           167           168           169           170 
      1  -0.219427D+01  0.237606D+01 -0.909346D+00  0.235940D+01 -0.137386D+01
      2   0.237606D+01 -0.322936D+01  0.136343D+01 -0.137386D+01  0.227369D+01
      3  -0.909346D+00  0.136343D+01 -0.127345D+01  0.156535D+01 -0.193682D+01
               171 
      1   0.156535D+01
      2  -0.193682D+01
      3   0.156273D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.752034D+01  0.557988D+00 -0.108557D+00  0.319402D+00 -0.402080D+01
      2  -0.478150D+01 -0.903339D-01  0.218188D+01 -0.171763D+00  0.298514D+00
      3  -0.897813D+01 -0.133839D+02  0.846629D+01 -0.668081D+01  0.685283D+01
                 6             7             8             9            10 
      1   0.464967D+01 -0.935024D+00  0.118274D+02  0.104513D+02  0.107893D+00
      2   0.286528D+01 -0.129686D+01  0.408474D+01  0.519715D+01  0.374301D+01
      3  -0.692108D+00  0.920367D+01 -0.621744D+00 -0.394518D+01  0.683244D+01
                11            12            13            14            15 
      1   0.168760D+00  0.247938D+00 -0.888281D+00  0.254245D+01 -0.354904D+01
      2  -0.597243D-01  0.346428D+01 -0.137243D+01 -0.312494D+00 -0.331877D+01
      3  -0.389875D+01 -0.833513D+00  0.200613D+01 -0.757890D+01  0.604513D+00
                16            17            18            19            20 
      1   0.328673D+00  0.326753D+01 -0.289610D+01 -0.218565D+01 -0.195306D+01
      2  -0.292018D+01 -0.396949D+01 -0.104183D+02  0.302275D+01 -0.903327D+00
      3   0.203916D+01 -0.765741D+00  0.380770D+01  0.513377D+00 -0.271519D+01
                21            22            23            24            25 
      1  -0.305694D+00  0.271994D+00  0.490539D+01 -0.973367D+00  0.945790D+00
      2   0.198116D+01 -0.753895D-01 -0.310330D+01  0.114475D+01 -0.878260D+01
      3   0.110347D+01  0.234806D+00 -0.364993D+01  0.156953D+01 -0.377080D+01
                26            27            28            29            30 
      1   0.450161D+01 -0.394047D+01  0.426000D+00  0.228029D+01  0.296179D+01
      2  -0.527593D+00  0.434362D+00 -0.685238D+01  0.399654D+00 -0.294062D+01
      3   0.146972D+01 -0.439978D+00 -0.102457D+02  0.486611D+01 -0.134854D+01
                31            32            33            34            35 
      1  -0.271485D+00 -0.623031D+01 -0.619007D+01  0.228550D+01 -0.266779D+01
      2   0.372107D+01  0.209933D+01 -0.206121D+01 -0.324102D+01 -0.917621D+00
      3   0.165888D+02  0.110288D+02 -0.223120D+01 -0.948177D+01 -0.937621D+01
                36            37            38            39            40 
      1   0.492567D+01 -0.261845D+01  0.721105D+00 -0.804929D+00 -0.102524D+01
      2   0.994561D+01  0.694147D+01  0.227675D+01  0.148249D+01 -0.616222D+00
      3  -0.160430D+01  0.303401D+01 -0.128020D+00  0.936846D+00  0.275204D+01
                41            42            43            44            45 
      1   0.197063D+01 -0.216265D+01  0.272745D+01  0.609639D+01 -0.275173D+01
      2   0.348840D+01  0.114921D+01 -0.535231D+01  0.677195D+00  0.779010D+01
      3  -0.478650D+01 -0.244781D+01  0.329963D+01 -0.124406D+01 -0.170664D+01
                46            47            48            49            50 
      1   0.505832D+00  0.685372D+00  0.245532D-01  0.170856D+01  0.240449D+01
      2  -0.108927D+02  0.153222D+01 -0.475681D+01  0.284760D+01 -0.150320D+01
      3  -0.898097D+01  0.185815D+01 -0.204623D+01  0.116130D+02  0.195187D+02
                51            52            53            54            55 
      1  -0.274069D+01  0.115298D+01  0.897508D+00 -0.228240D+01 -0.113126D+01
      2   0.768489D+01 -0.138070D+02  0.692566D+01  0.150223D+02  0.171773D+01
      3   0.459367D+00 -0.416909D+01  0.154092D+01 -0.841357D+01  0.787843D+01
                56            57            58            59            60 
      1   0.371473D+01 -0.792900D+01  0.237395D+01 -0.436965D+01 -0.645988D+00
      2   0.556730D+00  0.445377D+01  0.543998D+00  0.197507D+01  0.400027D+00
      3  -0.130459D+02  0.282272D+01  0.194522D+01  0.781718D+01 -0.254516D+01
                61            62            63            64            65 
      1  -0.775518D+01  0.955839D+01  0.761565D+01  0.131432D-01 -0.406159D+01
      2  -0.229830D+00  0.406915D+00 -0.102814D+01  0.634107D+00  0.188164D+01
      3   0.377890D+01 -0.322663D+01  0.834154D+01  0.195196D+01 -0.781154D+01
                66            67            68            69            70 
      1  -0.287030D+00 -0.718719D+00  0.103102D+01 -0.911798D+00 -0.147135D+01
      2   0.863370D+01  0.429075D+00 -0.438704D+01 -0.888182D+00 -0.320396D+01
      3  -0.689786D+00 -0.290399D+01 -0.198327D+00  0.435575D+01  0.512502D+01
                71            72            73            74            75 
      1   0.688252D+01 -0.633116D+00  0.833363D+00 -0.550262D+00 -0.182211D-01
      2  -0.194696D+01 -0.164495D+02  0.764517D+00 -0.187451D+00  0.544955D+00
      3   0.840574D+01  0.221498D+01  0.661115D-01 -0.960603D+00 -0.687989D+00
                76            77            78            79            80 
      1  -0.102072D+00  0.586487D+00 -0.139111D+00 -0.381057D+00  0.391592D+01
      2  -0.701677D+00  0.212866D+00 -0.371327D+00 -0.378880D+01  0.141508D+00
      3   0.153090D+01  0.346552D-01 -0.116433D+00  0.228511D+00  0.354647D+00
                81            82            83            84            85 
      1   0.396832D+01  0.115721D+01 -0.649645D+00 -0.734477D-02 -0.261943D+00
      2   0.281238D+00  0.165760D+01 -0.605037D+00  0.250136D+00 -0.146714D+01
      3  -0.431629D+00 -0.129406D+01 -0.744716D+00 -0.705333D-01  0.142158D+01
                86            87            88            89            90 
      1   0.102612D+01 -0.350159D+00 -0.540088D+00  0.441740D+01  0.207040D+01
      2   0.205783D+01  0.196084D+01 -0.414811D+01  0.219106D+01  0.994338D+01
      3  -0.383617D+00 -0.139794D+01  0.270426D+00 -0.217870D+01 -0.151055D+01
                91            92            93            94            95 
      1   0.358841D+01  0.222237D+01 -0.149444D+01  0.210924D+01  0.171006D+01
      2  -0.598122D+01 -0.277891D+01  0.402190D+01 -0.316786D+01 -0.171535D+01
      3  -0.129882D+00 -0.501800D+01 -0.855272D+00 -0.148511D+01 -0.380450D+01
                96            97            98            99           100 
      1  -0.561766D+00 -0.106133D+01 -0.187326D+00  0.800219D+00  0.269240D+01
      2   0.177541D+01  0.223070D+01  0.108579D+01 -0.165224D+01 -0.209520D+01
      3  -0.900553D-02  0.875739D+00  0.171402D+01 -0.302609D+00 -0.640770D+01
               101           102           103           104           105 
      1  -0.287839D+01  0.441605D+01 -0.280506D+01  0.245534D+01 -0.401488D+01
      2   0.396163D+00  0.674425D+00  0.988248D+00 -0.442827D+00 -0.311915D+00
      3   0.506619D+01 -0.349683D+01  0.825936D+01 -0.620534D+01  0.341294D+01
               106           107           108           109           110 
      1   0.390448D+01 -0.312914D+01  0.479703D+01 -0.103019D+01  0.832593D+00
      2  -0.190829D+01  0.403942D+00  0.476800D-01  0.749378D+00 -0.529655D-02
      3  -0.722980D+01  0.493758D+01 -0.475483D+01 -0.115623D+01  0.387161D+00
               111           112           113           114           115 
      1   0.335094D+01  0.112509D+01 -0.316310D+01 -0.367888D+01  0.332803D+01
      2  -0.437393D+00  0.216881D+00  0.289910D+00 -0.192741D+00 -0.291898D+01
      3   0.695536D+00  0.177505D+01 -0.158519D+01 -0.160898D+01  0.455424D+01
               116           117           118           119           120 
      1  -0.389298D+01 -0.133895D+02 -0.313897D+00  0.479778D+00  0.353111D+00
      2   0.268803D+00  0.960272D+00  0.745535D+01 -0.215002D+01  0.817320D+01
      3  -0.170296D+01 -0.380149D+01  0.628690D+01 -0.684257D+01  0.270203D+01
               121           122           123           124           125 
      1  -0.232214D+00 -0.541661D+00 -0.706900D+00 -0.131342D+00  0.152393D+01
      2  -0.242045D+01  0.238183D+01 -0.462078D+01  0.617078D+01 -0.300292D+01
      3  -0.457228D+01  0.361671D+01 -0.225208D+01  0.327685D+01 -0.449011D+01
               126           127           128           129           130 
      1   0.146007D+00  0.473460D+00 -0.295841D+00 -0.527657D+00  0.288410D-01
      2   0.576101D+01 -0.237415D+01  0.162689D+00  0.385136D+01  0.359861D+00
      3   0.336472D+01  0.164628D+01 -0.175988D+01 -0.753715D+00 -0.102491D+01
               131           132           133           134           135 
      1   0.962074D+00 -0.214926D+00 -0.655998D+00  0.374349D+01  0.210631D+01
      2  -0.271123D+01 -0.485412D+01  0.342211D+01 -0.312803D+01 -0.204669D+02
      3   0.990130D+00  0.256308D+01 -0.589758D+00  0.492519D+01  0.418676D+01
               136           137           138           139           140 
      1  -0.411190D+00 -0.414525D+00 -0.601923D+00 -0.209679D+00 -0.184358D+01
      2   0.101233D+01 -0.783006D-01  0.135769D+01 -0.800849D-01  0.341141D+00
      3  -0.377571D+01 -0.257176D+01  0.333698D+00  0.161225D+00 -0.245840D+02
               141           142           143           144           145 
      1  -0.262163D+01 -0.676343D+00  0.654166D+00  0.241435D+00  0.317295D+01
      2   0.330506D+01  0.546822D+00  0.172111D+01 -0.120981D+01  0.487949D+01
      3  -0.481106D-01  0.443327D+00 -0.578063D+00 -0.984776D+00  0.165805D+02
               146           147           148           149           150 
      1  -0.464444D-01 -0.376438D+01  0.479687D+00  0.964612D+00 -0.271956D+01
      2   0.122375D+01 -0.157410D+00  0.127952D+01  0.145604D+01 -0.295977D+00
      3   0.485005D+01 -0.502768D+01  0.699303D+01  0.412967D+01 -0.234321D+01
               151           152           153           154           155 
      1  -0.262845D+01 -0.891068D+00  0.180521D+01 -0.105749D+01 -0.839751D-01
      2  -0.352777D+01 -0.133366D+01  0.840317D+00 -0.513101D+00  0.178851D+00
      3  -0.626320D+01 -0.229903D+01  0.391547D+01  0.156344D+01  0.562694D+00
               156           157           158           159           160 
      1   0.142200D+00 -0.678792D-02 -0.285922D+01 -0.545017D+01  0.408166D+00
      2   0.772442D+00 -0.373064D+00 -0.124142D+01 -0.141366D+01 -0.251183D+01
      3   0.659030D+00  0.242337D+01  0.116877D+01  0.138871D+01  0.300244D+01
               161           162           163           164           165 
      1  -0.336021D+01 -0.148194D+02  0.329780D+01 -0.729252D+00  0.435259D+01
      2  -0.280510D+01 -0.628576D+01  0.310688D+00 -0.797732D+00  0.308610D+01
      3   0.355821D+01  0.290392D+01 -0.697313D+01 -0.322728D+00 -0.286087D+01
               166           167           168           169           170 
      1  -0.129341D+01  0.151733D+01 -0.365537D+01  0.274312D+01 -0.154455D+01
      2   0.598362D-01  0.815909D+00 -0.195679D+01 -0.352423D+00 -0.186440D+01
      3   0.458219D+01 -0.792164D+00  0.736959D+00 -0.459348D+01 -0.422778D+00
               171 
      1   0.273662D+01
      2   0.188839D+01
      3  -0.839522D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.110712D+02  0.105129D+02 -0.859511D+01  0.586427D+01 -0.129286D+02
      2  -0.148389D+02 -0.249075D+01  0.372681D+01  0.250340D+00  0.185522D+02
      3   0.376770D+01 -0.802217D+01  0.486831D+01 -0.611461D+01 -0.562356D+01
      4   0.823761D+01 -0.201879D+02  0.158448D+02 -0.179552D+02 -0.712042D+00
      5  -0.797151D+01  0.816758D+01 -0.520347D+01  0.561160D+01 -0.193743D+01
      6   0.197117D+02 -0.255683D+01  0.121564D+01 -0.239655D+01  0.371651D+01
                 6             7             8             9            10 
      1   0.104614D+01 -0.934079D+01  0.181097D+01  0.769379D+01 -0.150932D+02
      2   0.103322D+01  0.276470D+01  0.128939D+01 -0.110947D+02  0.110088D+02
      3  -0.207936D+01  0.657610D+01 -0.310035D+01  0.340088D+01  0.408441D+01
      4  -0.262903D+01  0.146198D+02 -0.478785D+01  0.937708D+01 -0.113808D+02
      5   0.657301D+01 -0.613573D+01  0.898714D+01  0.100513D+02  0.102470D+02
      6  -0.125543D+02  0.240726D+01 -0.179848D+02 -0.175432D+02 -0.376367D+01
                11            12            13            14            15 
      1  -0.122025D+02  0.773328D+01 -0.146517D+02  0.149412D+02  0.227772D+01
      2   0.617994D+01 -0.591269D+01  0.845338D+01 -0.148759D+02  0.703491D+00
      3   0.602261D+01 -0.182059D+01  0.619835D+01 -0.653048D-01 -0.298121D+01
      4   0.769308D+01 -0.116870D+01  0.985139D+01  0.865792D+01  0.557086D-01
      5  -0.388981D+00  0.103716D+01 -0.351829D+00  0.422873D+00 -0.772557D+01
      6   0.810252D+00 -0.103949D+01  0.148676D+01 -0.387639D+00 -0.114745D+00
                16            17            18            19            20 
      1   0.133191D+02  0.109889D+01  0.690634D+01 -0.196170D+02 -0.945464D+01
      2  -0.622699D+01  0.364980D+01  0.635517D+01  0.158834D+02  0.899700D+01
      3  -0.709211D+01 -0.474869D+01 -0.132615D+02  0.373361D+01  0.457639D+00
      4  -0.248518D+01 -0.906185D+00 -0.761969D+01 -0.552972D+01 -0.116826D+01
      5   0.875827D+01 -0.740209D+01 -0.205676D+02 -0.504643D+01 -0.158557D+01
      6  -0.135935D+01  0.629580D+01 -0.155291D+01 -0.626414D+00 -0.259038D+01
                21            22            23            24            25 
      1  -0.189448D+01  0.354900D+01  0.640246D+01  0.830738D+00 -0.341412D+01
      2  -0.250642D+00 -0.604011D+01 -0.193802D+02  0.260867D+01 -0.165238D+01
      3   0.214512D+01  0.249111D+01  0.129777D+02 -0.343940D+01  0.506650D+01
      4  -0.286755D+00 -0.166680D+02 -0.784007D+01 -0.524718D+00  0.567268D+01
      5   0.951982D+00  0.252778D+00 -0.119059D+01  0.149856D+01  0.130535D+01
      6   0.302404D-01  0.306634D+00  0.665297D+00 -0.242927D+01  0.214515D+01
                26            27            28            29            30 
      1   0.633574D+01  0.559944D+01  0.811355D+01  0.827195D+01 -0.312970D+00
      2  -0.426196D+01  0.990598D+01  0.318030D+01 -0.166861D+01 -0.512157D+01
      3  -0.207378D+01 -0.155054D+02 -0.112938D+02 -0.660334D+01  0.543454D+01
      4  -0.128043D+01  0.151987D+01  0.116293D+02  0.165607D+01 -0.614065D+01
      5   0.251917D+01  0.288677D+01  0.681478D+01 -0.394210D+01 -0.173825D+02
      6   0.406195D+01  0.623214D+01 -0.258204D+01  0.593342D+00 -0.331479D+01
                31            32            33            34            35 
      1   0.147595D+02  0.441159D+01 -0.280218D+01  0.149178D+02  0.141940D+01
      2  -0.637160D+01 -0.214285D+00  0.513302D+01 -0.872403D+01 -0.706773D+01
      3  -0.838785D+01 -0.419731D+01 -0.233084D+01 -0.619378D+01  0.564834D+01
      4   0.856917D+01 -0.139974D+01 -0.168800D+01 -0.103031D+02  0.423825D+01
      5  -0.119894D+02 -0.522624D+00 -0.588299D+01 -0.252420D+02 -0.327619D+01
      6  -0.191765D+01 -0.743557D+01  0.844457D+00 -0.401972D+01 -0.764407D+01
                36            37            38            39            40 
      1  -0.676357D+01 -0.272057D+02 -0.149660D+02  0.623130D+01 -0.192810D+02
      2   0.116250D+02  0.674512D+01  0.526247D+01 -0.464312D+01  0.755334D+01
      3  -0.486140D+01  0.204606D+02  0.970351D+01 -0.158818D+01  0.117276D+02
      4  -0.336907D+00 -0.212562D+02 -0.860342D+01  0.297937D+01 -0.346698D+01
      5   0.158141D+02  0.579435D+01 -0.114201D+00  0.101955D+02  0.396784D+01
      6  -0.318938D+01  0.132240D+01  0.194019D+01  0.170184D+01  0.284829D+01
                41            42            43            44            45 
      1  -0.155854D+02 -0.309074D+01  0.121226D+02  0.767478D+00 -0.278982D+01
      2   0.140164D+02  0.159958D+01 -0.977514D+01 -0.262577D+00 -0.944814D+01
      3   0.156899D+01  0.149116D+01 -0.234749D+01 -0.504901D+00  0.122380D+02
      4   0.532066D+01  0.778260D+01  0.110327D+02  0.941775D+01  0.566725D+01
      5   0.695129D+01  0.590099D+01  0.191283D+02  0.884168D+01  0.223712D+02
      6   0.756534D+01  0.833759D+01  0.507874D+01  0.113724D+02  0.908738D+01
                46            47            48            49            50 
      1   0.418746D+00  0.214137D+02 -0.217138D+02  0.246620D+02 -0.904380D+01
      2  -0.141847D+01 -0.133225D+02  0.108497D+02 -0.167083D+02 -0.158672D+00
      3   0.999727D+00 -0.809117D+01  0.108641D+02 -0.795371D+01  0.920247D+01
      4   0.217834D+02 -0.539177D+01  0.222516D+01 -0.116759D+02 -0.279753D+02
      5  -0.244671D+02  0.277834D+01 -0.106546D+02  0.383457D+01 -0.437379D+01
      6   0.281061D+00  0.164701D+00  0.981802D+00 -0.941918D+00 -0.646385D+00
                51            52            53            54            55 
      1   0.569225D+01 -0.292682D+02  0.417118D+01 -0.947612D+01  0.195013D+02
      2  -0.778162D+00  0.127730D+02 -0.108195D+00  0.138558D+02 -0.168048D+02
      3  -0.491408D+01  0.164952D+02 -0.406299D+01 -0.437968D+01 -0.269656D+01
      4  -0.239410D+01  0.400401D+01 -0.925699D+00  0.135306D+02  0.805375D+01
      5   0.158735D+02 -0.196480D+02  0.142717D+02  0.280646D+02 -0.609484D+00
      6   0.940051D+00  0.190373D+01 -0.165623D+01 -0.149925D+01  0.705944D+01
                56            57            58            59            60 
      1  -0.566958D+01  0.746214D+00 -0.620229D+01 -0.133330D+02 -0.455006D+00
      2   0.961585D+01 -0.143744D+01  0.141940D+02  0.283946D+02  0.237222D+01
      3  -0.394627D+01  0.691225D+00 -0.799168D+01 -0.150616D+02 -0.191721D+01
      4  -0.686990D+01  0.549326D+01  0.560207D+01  0.189923D+02 -0.311634D+01
      5   0.276933D+01  0.116268D+01  0.277158D+01 -0.178009D+01  0.253224D+01
      6  -0.459689D+01  0.135768D+02 -0.540723D+01  0.477284D+01 -0.143904D+01
                61            62            63            64            65 
      1   0.389686D+01  0.148703D+01  0.485598D+01  0.250574D+02 -0.130408D+01
      2  -0.330091D+01  0.252623D+01 -0.682919D+01 -0.196931D+02 -0.225744D+01
      3  -0.595954D+00 -0.401327D+01  0.197321D+01 -0.536432D+01  0.356152D+01
      4   0.583182D+01 -0.295561D+01  0.121581D+02 -0.863775D+01  0.956507D+01
      5   0.338323D+01  0.451152D+01 -0.180138D+01 -0.213571D+02  0.463118D+01
      6   0.148973D+02 -0.547706D+01 -0.133652D+02  0.145782D+01 -0.349577D+01
                66            67            68            69            70 
      1  -0.926820D+01 -0.797503D+01 -0.203786D+01  0.129195D+01 -0.161688D+02
      2   0.122362D+02  0.566934D+01  0.435753D+01 -0.150625D+01  0.172737D+02
      3  -0.296796D+01  0.230569D+01 -0.231968D+01  0.214294D+00 -0.110485D+01
      4   0.561295D+01  0.991545D+01 -0.536709D+01 -0.828563D+01  0.514297D+01
      5   0.231550D+02  0.514708D+01 -0.950606D+01 -0.209416D+01  0.284541D+02
      6  -0.291004D+00 -0.335594D+01  0.244541D+01  0.811979D+01 -0.143103D+01
                71            72            73            74            75 
      1  -0.468222D+01 -0.196899D+01  0.121667D+01  0.411963D+00  0.113202D+01
      2   0.733283D+01 -0.221123D+02 -0.405511D+01 -0.923102D-01  0.103180D+01
      3  -0.265061D+01  0.240813D+02  0.283844D+01 -0.319653D+00 -0.216382D+01
      4  -0.921601D+01 -0.664493D+01  0.528504D+00  0.186832D+01 -0.570325D+00
      5  -0.300144D+01 -0.399871D+02 -0.132933D+01  0.231979D+00  0.587715D+01
      6   0.912322D+01  0.612038D+00 -0.979017D+00 -0.798014D+00  0.470498D+00
                76            77            78            79            80 
      1   0.430946D+00 -0.408737D+01 -0.919720D+00 -0.648512D-01  0.709483D+00
      2   0.932173D-01  0.147436D+01 -0.189424D+01  0.184268D+01 -0.278540D+01
      3  -0.524163D+00  0.261301D+01  0.281396D+01 -0.177782D+01  0.207591D+01
      4   0.188041D+01 -0.359241D+00 -0.360995D+00 -0.105241D+01 -0.120527D+00
      5   0.120483D+00 -0.770029D+00 -0.902884D+00  0.385805D+01 -0.595108D-01
      6  -0.284100D+00  0.438767D+00  0.541432D+01  0.563372D-01  0.357807D+01
                81            82            83            84            85 
      1  -0.160821D+02  0.245964D+01  0.218080D+01  0.214900D+01  0.292833D+01
      2  -0.148243D+02 -0.451362D+01 -0.891005D+00 -0.418424D+00 -0.188598D+01
      3   0.309064D+02  0.205397D+01 -0.128980D+01 -0.173057D+01 -0.104235D+01
      4   0.413925D+00  0.236172D+01  0.819919D+00  0.588288D+00  0.122274D+01
      5  -0.208085D+01  0.842936D+00  0.689833D+00  0.569725D+01  0.227959D+00
      6  -0.614562D+01  0.824558D+00 -0.270780D+00 -0.415704D+00  0.192752D+00
                86            87            88            89            90 
      1  -0.541986D+01 -0.267433D+01  0.378023D+01 -0.148942D+01 -0.160575D+02
      2   0.190718D+01 -0.122887D+01 -0.237308D+01 -0.342866D+01 -0.149619D+02
      3   0.351268D+01  0.390320D+01 -0.140715D+01  0.491809D+01  0.310194D+02
      4   0.553654D+00  0.284227D+01  0.673543D+00  0.372189D+01  0.376698D+01
      5   0.317873D+01  0.389984D+01  0.326830D+01  0.334303D+01  0.186662D+02
      6   0.318513D+01  0.746941D+01  0.287912D+00  0.407699D+01  0.284875D+01
                91            92            93            94            95 
      1   0.517323D+02  0.208232D+02  0.219076D+01  0.118798D+02  0.837164D+01
      2  -0.228866D+02 -0.750622D+01 -0.226756D+01 -0.202491D+01  0.647538D+00
      3  -0.288458D+02 -0.133170D+02  0.768001D-01 -0.985490D+01 -0.901918D+01
      4   0.309627D+02  0.196410D+02  0.258365D+01  0.183643D+02  0.150387D+02
      5   0.103618D+02  0.508690D+01  0.718700D+01  0.325312D+01  0.327293D+01
      6   0.264424D+01  0.245805D+01  0.206490D+01  0.204526D+01  0.172882D+01
                96            97            98            99           100 
      1   0.104463D+01 -0.129118D+02 -0.563260D+01  0.296129D+01 -0.315256D+01
      2  -0.103525D+01  0.400753D+01  0.754502D+00 -0.135605D+01  0.799135D+01
      3  -0.938819D-02  0.890422D+01  0.487810D+01 -0.160523D+01 -0.483878D+01
      4   0.130121D+01 -0.900848D+01 -0.576146D+01  0.328937D+01 -0.105925D+02
      5   0.315208D+01  0.528152D+01  0.249977D+01  0.161122D+00  0.362137D+01
      6   0.221683D+01  0.268868D+01  0.212330D+01 -0.347949D+00 -0.787412D+01
               101           102           103           104           105 
      1   0.813363D+01 -0.334713D+01  0.524833D+01 -0.136950D+02  0.468927D+01
      2  -0.145370D+02  0.517482D+01 -0.105448D+02  0.230104D+02 -0.738912D+01
      3   0.640332D+01 -0.182769D+01  0.529649D+01 -0.931533D+01  0.269985D+01
      4   0.156369D+02 -0.725614D+01  0.133519D+02 -0.139194D+02  0.622863D+01
      5  -0.416487D+01  0.450773D+01 -0.242375D+01  0.364877D+01 -0.215321D+01
      6   0.100826D+02 -0.896637D+01  0.781488D+01 -0.114110D+02  0.936790D+01
               106           107           108           109           110 
      1  -0.455634D+01  0.896368D+01 -0.713132D+01 -0.212748D+01  0.253443D+01
      2   0.559535D+01 -0.110767D+02  0.564954D+01  0.254698D+01 -0.383790D+01
      3  -0.103900D+01  0.211299D+01  0.148178D+01 -0.419497D+00  0.130347D+01
      4  -0.953305D+01  0.946078D+01 -0.789532D+01 -0.992426D+00  0.501607D+01
      5   0.454212D+01 -0.386658D+01  0.425103D+01 -0.115527D+01  0.253269D+00
      6  -0.942759D+01  0.136885D+02 -0.121505D+02  0.820474D+00 -0.360012D+01
               111           112           113           114           115 
      1   0.167976D+01  0.666391D+00 -0.580781D+01 -0.300979D+01  0.936437D+00
      2  -0.237942D+01 -0.148034D+01  0.813111D+01  0.414471D+01 -0.149319D+01
      3   0.699660D+00  0.813951D+00 -0.232330D+01 -0.113492D+01  0.556753D+00
      4   0.940048D+00  0.422835D+01 -0.254651D+01 -0.289185D+01  0.485573D+01
      5   0.204365D+01  0.113631D+00 -0.138734D+01 -0.105653D+01  0.152782D+01
      6  -0.501796D+01 -0.326145D+01  0.493533D+01  0.839089D+01 -0.534075D+01
               116           117           118           119           120 
      1  -0.100522D+02 -0.100701D+02  0.554786D+02 -0.113025D+02  0.168560D+02
      2   0.113176D+02  0.460007D+01 -0.296981D+02  0.556686D+01 -0.957061D+01
      3  -0.126543D+01  0.547000D+01 -0.257806D+02  0.573565D+01 -0.728540D+01
      4  -0.409690D+01 -0.435950D+01 -0.118153D+02  0.110411D+02 -0.381273D+01
      5  -0.138423D+01 -0.215795D+01  0.197525D+02 -0.432382D+01  0.153476D+02
      6   0.122889D+02  0.240400D+02 -0.329807D+00  0.468463D+00 -0.771258D-01
               121           122           123           124           125 
      1  -0.217379D+02  0.852352D+01 -0.479802D+01  0.275575D+02 -0.404644D+01
      2   0.113545D+02 -0.219047D+01  0.217355D+01 -0.163836D+02  0.207910D+01
      3   0.103834D+02 -0.633305D+01  0.262447D+01 -0.111738D+02  0.196734D+01
      4   0.140629D+02 -0.692661D+01  0.530522D+01 -0.562551D+01  0.719373D+01
      5  -0.684549D+01  0.544253D+01 -0.813239D+01  0.202411D+02 -0.615681D+01
      6   0.144746D+01 -0.161665D+01  0.200379D+01 -0.108093D+01  0.230133D+01
               126           127           128           129           130 
      1   0.119089D+02  0.744613D+01 -0.306625D+01 -0.480230D+01 -0.711916D+01
      2  -0.106200D+02 -0.644366D+01  0.219497D+01  0.413457D+01  0.473791D+01
      3  -0.128892D+01 -0.100247D+01  0.871282D+00  0.667727D+00  0.238125D+01
      4  -0.555768D+01 -0.296081D+01  0.270612D+01  0.103582D+01  0.502641D+01
      5   0.133453D+02 -0.573928D+01  0.142356D+01  0.108323D+02  0.376532D+01
      6  -0.111025D+01  0.905896D+00  0.660723D-02  0.108982D+00 -0.191273D+01
               131           132           133           134           135 
      1   0.470880D+00 -0.320799D+00 -0.111311D+02 -0.101777D+01  0.127926D+01
      2  -0.446344D+00 -0.208294D+01  0.108163D+02 -0.107634D+01 -0.178166D+02
      3  -0.245357D-01  0.240374D+01  0.314766D+00  0.209411D+01  0.165374D+02
      4  -0.179578D+01 -0.608405D+01  0.127194D+01 -0.819054D+01 -0.656167D+01
      5  -0.551521D+01 -0.947374D+01  0.197467D+02 -0.626686D+01 -0.409665D+02
      6   0.260336D+01  0.467993D+01 -0.125857D+01  0.480490D+01  0.212361D+01
               136           137           138           139           140 
      1   0.346470D+01  0.453745D+01  0.205814D+01  0.140546D+02  0.225362D+01
      2   0.144598D+01  0.469389D+00 -0.119630D+01 -0.446379D+01  0.123870D+02
      3  -0.491068D+01 -0.500684D+01 -0.861840D+00 -0.959085D+01 -0.146406D+02
      4   0.637421D+01  0.120799D+02 -0.329033D+00  0.173141D+02  0.413869D+02
      5   0.183291D+01 -0.684727D+00  0.274651D+01 -0.121088D+01  0.135848D+01
      6  -0.339776D+00 -0.694252D+00  0.888594D+00  0.201489D+00 -0.959361D+00
               141           142           143           144           145 
      1  -0.827944D+00  0.356049D+01 -0.542886D+00  0.112816D+01 -0.816957D+01
      2   0.797633D+00 -0.159964D+01  0.370524D+00 -0.120863D+01  0.846020D+01
      3   0.303101D-01 -0.196085D+01  0.172362D+00  0.804663D-01 -0.290624D+00
      4   0.172575D+00  0.953978D-01  0.834489D+00  0.320847D+01  0.149216D+02
      5   0.578842D+01  0.550750D+01  0.377474D+01 -0.235554D+01 -0.274990D+01
      6   0.395491D+01  0.124724D+01  0.522509D+01  0.637856D+00 -0.929807D+01
               146           147           148           149           150 
      1  -0.127829D+02  0.613873D+01 -0.725053D+01 -0.881005D+01  0.407976D+01
      2   0.148900D+02 -0.374385D+01  0.888149D+01  0.123275D+02 -0.451559D+01
      3  -0.210708D+01 -0.239488D+01 -0.163096D+01 -0.351750D+01  0.435828D+00
      4   0.786840D+01 -0.632348D+01  0.906674D+01  0.499585D+01 -0.219076D+01
      5  -0.216300D+01  0.253284D+01 -0.122552D+01 -0.957072D+00 -0.384149D-01
      6  -0.674566D+01  0.794018D+01 -0.459208D+01 -0.602173D+01  0.673737D+01
               151           152           153           154           155 
      1   0.616630D+01  0.670507D+01 -0.755415D+01 -0.119039D+01 -0.205973D+01
      2  -0.295143D+01 -0.678191D+01  0.374277D+01  0.168303D+01  0.654104D+00
      3  -0.321487D+01  0.768425D-01  0.381138D+01 -0.492633D+00  0.140563D+01
      4  -0.709281D+01 -0.118463D+01  0.240378D+01 -0.188435D+01  0.573067D+01
      5   0.335750D+01 -0.522589D+00 -0.226297D+01 -0.125264D+01  0.673432D+00
      6   0.595401D+01  0.897245D+01 -0.605315D+01  0.160656D+01  0.823408D-01
               156           157           158           159           160 
      1  -0.137479D+01 -0.855883D+00 -0.656435D+01 -0.518790D+01 -0.212159D+01
      2   0.851764D+00 -0.255061D+00  0.897470D+01  0.702873D+01  0.961585D+00
      3   0.523026D+00  0.111094D+01 -0.241035D+01 -0.184082D+01  0.116001D+01
      4   0.188575D+01  0.444629D+01 -0.369652D+01 -0.240878D+01  0.448652D+01
      5   0.399107D+01 -0.256143D+00 -0.265524D+01 -0.304453D+01  0.441200D+01
      6  -0.481486D+00 -0.456441D-01  0.797049D+01  0.123000D+02 -0.131182D+01
               161           162           163           164           165 
      1  -0.102599D+02 -0.113788D+02  0.122512D+02 -0.177760D+01  0.278500D+01
      2   0.126329D+02  0.446124D+01  0.579387D+00 -0.934399D+01 -0.259715D+00
      3  -0.237297D+01  0.691754D+01 -0.128305D+02  0.111216D+02 -0.252529D+01
      4  -0.661993D+01 -0.619175D+01 -0.266272D+02  0.241244D+02 -0.113949D+02
      5  -0.614510D+01 -0.128131D+02  0.112040D+02 -0.743180D+01  0.924704D+01
      6   0.162437D+02  0.279806D+02 -0.108412D+02  0.874213D+01 -0.937556D+01
               166           167           168           169           170 
      1  -0.108683D+01 -0.354553D+01  0.186308D+01  0.352451D+01  0.298360D+01
      2  -0.717836D+01  0.140529D+02 -0.462261D+01 -0.750134D+00 -0.637429D+01
      3   0.826519D+01 -0.105074D+02  0.275952D+01 -0.277438D+01  0.339069D+01
      4   0.181055D+02 -0.192320D+02  0.767961D+01 -0.125866D+02  0.111789D+02
      5  -0.476295D+01  0.631985D+01 -0.471416D+01  0.949569D+01 -0.749169D+01
      6   0.656535D+01 -0.964258D+01  0.903209D+01 -0.826094D+01  0.118313D+02
               171 
      1  -0.190880D+01
      2   0.122836D+01
      3   0.680440D+00
      4  -0.101680D+02
      5   0.817491D+01
      6  -0.869856D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 19:58:49 2021, MaxMem=  6442450944 cpu:           12293.8 elap:            1537.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20817 -19.15004 -14.32598 -10.32353 -10.23128
 Alpha  occ. eigenvalues --  -10.19726 -10.17821 -10.17062  -1.12538  -1.03593
 Alpha  occ. eigenvalues --   -0.90826  -0.80522  -0.71686  -0.68972  -0.62747
 Alpha  occ. eigenvalues --   -0.57201  -0.52629  -0.49970  -0.49155  -0.48019
 Alpha  occ. eigenvalues --   -0.46106  -0.42642  -0.42576  -0.39989  -0.39420
 Alpha  occ. eigenvalues --   -0.38607  -0.35243  -0.34350  -0.33690  -0.33278
 Alpha  occ. eigenvalues --   -0.29783  -0.25807
 Alpha virt. eigenvalues --   -0.01747  -0.01226  -0.00041   0.00089   0.00930
 Alpha virt. eigenvalues --    0.02231   0.03256   0.03355   0.04010   0.04484
 Alpha virt. eigenvalues --    0.05890   0.06444   0.06796   0.07450   0.07833
 Alpha virt. eigenvalues --    0.08325   0.09061   0.09500   0.09762   0.10310
 Alpha virt. eigenvalues --    0.10544   0.11285   0.12129   0.12529   0.12895
 Alpha virt. eigenvalues --    0.13015   0.13790   0.14236   0.14899   0.15026
 Alpha virt. eigenvalues --    0.15196   0.15964   0.16571   0.17472   0.18306
 Alpha virt. eigenvalues --    0.19080   0.19419   0.20689   0.21071   0.21199
 Alpha virt. eigenvalues --    0.21873   0.22336   0.22923   0.23065   0.24395
 Alpha virt. eigenvalues --    0.24461   0.25011   0.26469   0.26785   0.27525
 Alpha virt. eigenvalues --    0.27804   0.28743   0.29606   0.31282   0.31457
 Alpha virt. eigenvalues --    0.32904   0.33752   0.34285   0.34700   0.35192
 Alpha virt. eigenvalues --    0.35532   0.36150   0.36965   0.37488   0.38462
 Alpha virt. eigenvalues --    0.38574   0.39107   0.39899   0.40501   0.40878
 Alpha virt. eigenvalues --    0.41542   0.42081   0.43152   0.43758   0.45102
 Alpha virt. eigenvalues --    0.45947   0.46855   0.47530   0.47659   0.48186
 Alpha virt. eigenvalues --    0.49057   0.50121   0.50237   0.50570   0.51066
 Alpha virt. eigenvalues --    0.52006   0.53073   0.53789   0.54684   0.56020
 Alpha virt. eigenvalues --    0.57696   0.58392   0.59220   0.60511   0.60900
 Alpha virt. eigenvalues --    0.61663   0.62177   0.63412   0.63750   0.65189
 Alpha virt. eigenvalues --    0.66293   0.67211   0.68229   0.68703   0.69144
 Alpha virt. eigenvalues --    0.69613   0.70884   0.71961   0.72478   0.74235
 Alpha virt. eigenvalues --    0.75766   0.76208   0.77552   0.78409   0.79400
 Alpha virt. eigenvalues --    0.79689   0.81155   0.81635   0.83098   0.83122
 Alpha virt. eigenvalues --    0.84544   0.86744   0.87219   0.89051   0.90730
 Alpha virt. eigenvalues --    0.92695   0.93858   0.95260   0.96765   0.97236
 Alpha virt. eigenvalues --    0.98298   0.99638   1.00612   1.01741   1.02175
 Alpha virt. eigenvalues --    1.06742   1.08434   1.09843   1.10666   1.11738
 Alpha virt. eigenvalues --    1.12213   1.14062   1.15789   1.16681   1.17853
 Alpha virt. eigenvalues --    1.18724   1.21450   1.24326   1.26202   1.28777
 Alpha virt. eigenvalues --    1.30359   1.33506   1.36150   1.36896   1.39197
 Alpha virt. eigenvalues --    1.41984   1.45239   1.46260   1.49231   1.50646
 Alpha virt. eigenvalues --    1.53837   1.54602   1.56171   1.57771   1.57839
 Alpha virt. eigenvalues --    1.61036   1.62362   1.63972   1.66215   1.67659
 Alpha virt. eigenvalues --    1.70399   1.71099   1.72337   1.73048   1.75485
 Alpha virt. eigenvalues --    1.78615   1.79780   1.80578   1.82941   1.83786
 Alpha virt. eigenvalues --    1.84672   1.87474   1.88818   1.89668   1.91233
 Alpha virt. eigenvalues --    1.92102   1.94209   1.95462   1.96955   1.99095
 Alpha virt. eigenvalues --    2.00509   2.02222   2.03134   2.04338   2.07122
 Alpha virt. eigenvalues --    2.08159   2.09647   2.11138   2.12741   2.14711
 Alpha virt. eigenvalues --    2.17650   2.18427   2.19172   2.20788   2.22577
 Alpha virt. eigenvalues --    2.24959   2.26394   2.27428   2.30364   2.32965
 Alpha virt. eigenvalues --    2.34026   2.37156   2.41565   2.43013   2.43810
 Alpha virt. eigenvalues --    2.47050   2.48283   2.49949   2.53458   2.54936
 Alpha virt. eigenvalues --    2.57106   2.59773   2.60380   2.64068   2.64649
 Alpha virt. eigenvalues --    2.68466   2.70300   2.74110   2.75522   2.81572
 Alpha virt. eigenvalues --    2.83979   2.88064   2.89330   2.98034   3.04391
 Alpha virt. eigenvalues --    3.08511   3.12022   3.28924   3.33361   3.33637
 Alpha virt. eigenvalues --    3.37407   3.39343   3.39928   3.42321   3.45803
 Alpha virt. eigenvalues --    3.47694   3.52714   3.61240   3.74549   3.93282
 Alpha virt. eigenvalues --    3.99763
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.010343  -0.590512  -0.256143  -0.069862   0.014991  -0.129427
     2  C   -0.590512  10.268301  -1.882947   0.281052   0.036195  -0.365248
     3  C   -0.256143  -1.882947  11.797390  -2.780764   0.079309   0.154378
     4  C   -0.069862   0.281052  -2.780764   8.059189  -0.225218  -0.188503
     5  O    0.014991   0.036195   0.079309  -0.225218   8.316678   0.009007
     6  C   -0.129427  -0.365248   0.154378  -0.188503   0.009007   4.869059
     7  N    0.091216  -0.165754  -0.677629   0.219387  -0.003786   0.032884
     8  O    0.017604  -0.064372   0.267221  -0.118899   0.010796   0.011969
     9  H    0.080331   0.228627  -1.807403   0.200425  -0.047004  -0.057460
    10  H    0.133405  -1.859393   0.221265   0.025304  -0.004806   0.022164
    11  H   -0.003004  -0.015756   0.066682  -0.094946   0.281286   0.002646
    12  H   -0.002390  -0.020867   0.165927  -0.059267   0.003161   0.006564
    13  H   -0.002803   0.124070  -0.193574  -0.097236  -0.007650  -0.001142
    14  H    0.110446   0.118631  -0.075610  -0.011492   0.001609   0.072012
    15  H   -0.099136  -0.268805   0.190494  -0.030189  -0.000923   0.288570
    16  H   -0.082082   0.401725  -0.102020   0.022433  -0.000494   0.038851
    17  H    0.191962   0.196325   0.051349   0.033857  -0.014176  -0.108409
    18  H    0.226759   0.002743  -0.290750   0.131642   0.003286  -0.092709
    19  H   -0.043532   0.110931   0.019380  -0.041539  -0.000824   0.107959
               7          8          9         10         11         12
     1  C    0.091216   0.017604   0.080331   0.133405  -0.003004  -0.002390
     2  C   -0.165754  -0.064372   0.228627  -1.859393  -0.015756  -0.020867
     3  C   -0.677629   0.267221  -1.807403   0.221265   0.066682   0.165927
     4  C    0.219387  -0.118899   0.200425   0.025304  -0.094946  -0.059267
     5  O   -0.003786   0.010796  -0.047004  -0.004806   0.281286   0.003161
     6  C    0.032884   0.011969  -0.057460   0.022164   0.002646   0.006564
     7  N    6.800908  -0.024306   0.243012   0.043863  -0.002759   0.156896
     8  O   -0.024306   8.533003  -0.042933   0.023205  -0.038425   0.002693
     9  H    0.243012  -0.042933   2.750036   0.092686   0.008314  -0.099616
    10  H    0.043863   0.023205   0.092686   3.112761   0.000138   0.018096
    11  H   -0.002759  -0.038425   0.008314   0.000138   0.646751  -0.000179
    12  H    0.156896   0.002693  -0.099616   0.018096  -0.000179   1.055706
    13  H    0.372139  -0.007525   0.066815  -0.025146  -0.000729  -0.130142
    14  H    0.055358  -0.000303   0.005481  -0.144155  -0.000454   0.002166
    15  H   -0.006979   0.000692  -0.045825   0.130925   0.000327   0.000716
    16  H   -0.085637   0.001523  -0.003666  -0.065403   0.000809   0.000067
    17  H    0.006704   0.015658   0.003349  -0.091392   0.001807  -0.003566
    18  H    0.017612  -0.011774   0.032136   0.107595   0.002505   0.002083
    19  H   -0.008518   0.003947   0.005357  -0.044284   0.000655   0.000277
              13         14         15         16         17         18
     1  C   -0.002803   0.110446  -0.099136  -0.082082   0.191962   0.226759
     2  C    0.124070   0.118631  -0.268805   0.401725   0.196325   0.002743
     3  C   -0.193574  -0.075610   0.190494  -0.102020   0.051349  -0.290750
     4  C   -0.097236  -0.011492  -0.030189   0.022433   0.033857   0.131642
     5  O   -0.007650   0.001609  -0.000923  -0.000494  -0.014176   0.003286
     6  C   -0.001142   0.072012   0.288570   0.038851  -0.108409  -0.092709
     7  N    0.372139   0.055358  -0.006979  -0.085637   0.006704   0.017612
     8  O   -0.007525  -0.000303   0.000692   0.001523   0.015658  -0.011774
     9  H    0.066815   0.005481  -0.045825  -0.003666   0.003349   0.032136
    10  H   -0.025146  -0.144155   0.130925  -0.065403  -0.091392   0.107595
    11  H   -0.000729  -0.000454   0.000327   0.000809   0.001807   0.002505
    12  H   -0.130142   0.002166   0.000716   0.000067  -0.003566   0.002083
    13  H    0.946284   0.001079  -0.000315  -0.006979   0.005507  -0.001160
    14  H    0.001079   2.060919  -0.406127  -0.487594   0.021734  -0.021370
    15  H   -0.000315  -0.406127   1.907569  -0.408216   0.001832  -0.006292
    16  H   -0.006979  -0.487594  -0.408216   2.038060  -0.023205   0.003054
    17  H    0.005507   0.021734   0.001832  -0.023205   1.789414  -0.326935
    18  H   -0.001160  -0.021370  -0.006292   0.003054  -0.326935   1.854916
    19  H   -0.002660  -0.018309  -0.029171   0.029027  -0.472867  -0.391977
              19
     1  C   -0.043532
     2  C    0.110931
     3  C    0.019380
     4  C   -0.041539
     5  O   -0.000824
     6  C    0.107959
     7  N   -0.008518
     8  O    0.003947
     9  H    0.005357
    10  H   -0.044284
    11  H    0.000655
    12  H    0.000277
    13  H   -0.002660
    14  H   -0.018309
    15  H   -0.029171
    16  H    0.029027
    17  H   -0.472867
    18  H   -0.391977
    19  H    2.076078
 Mulliken charges:
               1
     1  C    1.401835
     2  C   -0.534947
     3  C    1.053447
     4  C    0.744626
     5  O   -0.451436
     6  C    1.326836
     7  N   -0.064609
     8  O   -0.579772
     9  H   -0.612663
    10  H   -0.696830
    11  H    0.144331
    12  H   -0.098325
    13  H   -0.038834
    14  H   -0.284022
    15  H   -0.219144
    16  H   -0.270252
    17  H   -0.278948
    18  H   -0.241364
    19  H   -0.299930
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.581594
     2  C   -1.231777
     3  C    0.440784
     4  C    0.744626
     5  O   -0.307105
     6  C    0.553417
     7  N   -0.201768
     8  O   -0.579772
 Electronic spatial extent (au):  <R**2>=           1060.0307
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.2837    Y=             -0.6544    Z=             -1.0717  Tot=              1.2874
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -49.4944   YY=            -49.1507   ZZ=            -52.5359
   XY=             -0.3863   XZ=              4.2239   YZ=             -0.9481
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.8993   YY=              1.2430   ZZ=             -2.1422
   XY=             -0.3863   XZ=              4.2239   YZ=             -0.9481
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.5929  YYY=              3.5186  ZZZ=             -2.3622  XYY=            -17.4601
  XXY=            -12.8035  XXZ=             -7.6545  XZZ=              2.9337  YZZ=              3.5410
  YYZ=              1.3893  XYZ=              2.5114
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -740.6380 YYYY=           -430.4696 ZZZZ=           -174.6094 XXXY=             36.6942
 XXXZ=             33.2772 YYYX=             -9.5526 YYYZ=              3.5315 ZZZX=              3.4746
 ZZZY=              2.1678 XXYY=           -192.1013 XXZZ=           -173.4633 YYZZ=            -95.0995
 XXYZ=             -0.3891 YYXZ=              6.3307 ZZXY=             -1.6813
 N-N= 4.070969270328D+02 E-N=-1.753569534571D+03  KE= 4.000129239110D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 19:58:50 2021, MaxMem=  6442450944 cpu:               2.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.56034518D-01-2.39542537D-01-4.12141700D-01
 Polarizability= 8.26560838D+01 2.25054482D+00 7.56861279D+01
                -8.72644630D-01 1.77830684D+00 6.74213435D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.6019    0.6032        1.5880    1.5878
 2     -0.6019   -0.6032       -0.9523   -0.9532       -4.0064   -4.0080
 3     -1.5880   -1.5878        8.9823    8.9849        0.9513    0.9532
 4      0.9523    0.9532       -0.0000    0.0000       -1.5891   -1.5878
 5     -4.9759   -4.9769        1.5891    1.5878        0.6012    0.6032
 6     -0.9513   -0.9532       -0.6012   -0.6032        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.8096   -1.8096        4.7635    4.7635
 2      2.8595    2.8595        0.0000    0.0000        4.7635    4.7635
 3      2.8595    2.8595       -1.8096   -1.8096       -0.0000    0.0000
 4     -1.8096   -1.8096       -2.8595   -2.8595      -12.0240  -12.0240
 5     -4.7635   -4.7635       26.9547   26.9547        2.8595    2.8595
 6    -14.9306  -14.9306        4.7635    4.7635        1.8096    1.8096
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0426    0.0000       -2.4394   -2.4128       -6.2983   -6.3513
 2      2.4225    2.4128        3.7670    3.8127       16.1188   16.0320
 3      6.3792    6.3513      -35.9156  -35.9395       -3.8475   -3.8127
 4     -3.8135   -3.8127        0.0148    0.0000        6.3611    6.3513
 5     19.8856   19.9075       -6.3425   -6.3513       -2.4559   -2.4128
 6      3.8082    3.8127        2.4003    2.4128       -0.0114    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0113    0.0000        9.5120    9.5372       -2.2831   -2.3239
 2     -9.5351   -9.5372      -13.4624  -13.3787        6.9268    6.9202
 3      2.2890    2.3239       15.3807   15.4414       13.3641   13.3787
 4     13.4114   13.3787        0.0025    0.0000        2.3123    2.3239
 5    -22.3330  -22.3616       -2.2848   -2.3239        9.5775    9.5372
 6    -13.4224  -13.3787       -9.5048   -9.5372       -0.0716    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.6745    9.7076       16.4625   16.4459        8.2410    8.3305
 2     26.9185   26.8798       27.7001   27.7115        8.3365    8.3305
 3     26.9170   26.8798       16.4831   16.4459        9.7538    9.8133
 4    -11.2259  -11.2657      -17.2167  -17.1722       22.0799   22.0066
 5      1.4451    1.4828       27.1097   27.1344       17.2459   17.1722
 6    -49.0798  -49.1410       -1.3691   -1.4828       11.3913   11.2657
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.3794    0.0006    0.0008    0.0011    2.6017    8.7131
 Low frequencies ---   54.4810   70.6690  171.4385
 Diagonal vibrational polarizability:
       17.2776292      27.3926327      20.6055847
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     54.4795                70.6665               171.4385
 Red. masses --      6.5147                 3.0470                 3.8911
 Frc consts  --      0.0114                 0.0090                 0.0674
 IR Inten    --      1.6994                 0.3316                 0.0549
 RamAct Fr= 1--      1.2698                 0.2281                 0.5404
  Dep-P Fr= 1--      0.7377                 0.7500                 0.5486
  Dep-U Fr= 1--      0.8490                 0.8571                 0.7085
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0021
 Beta2  Fr= 1--      0.1797                 0.0326                 0.0638
 AlphaG Fr= 1--      0.0001                 0.0000                -0.0039
 Gamma2 Fr= 1--      0.2062                 0.0255                 0.0582
 Delta2 Fr= 1--      0.2567                 0.1041                 0.0607
 Raman1 Fr= 1--       5.079                  0.912                  2.161
 ROA1   Fr= 1--      28.012                  5.779                  7.528
 CID1   Fr= 1--       5.515                  6.335                  3.483
 Raman2 Fr= 1--       2.156                  0.391                  0.766
 ROA2   Fr= 1--       2.896                 -0.220                  0.911
 CID2   Fr= 1--       1.343                 -0.563                  1.190
 Raman3 Fr= 1--       4.313                  0.782                  1.531
 ROA3   Fr= 1--      28.012                  5.779                  7.528
 CID3   Fr= 1--       6.495                  7.391                  4.916
 RC180  Fr= 1--       0.698                  0.714                  0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.01   0.06    -0.07   0.05   0.23     0.26  -0.07   0.07
     2   6    -0.00   0.02   0.05     0.03   0.05   0.01     0.09  -0.05   0.02
     3   6     0.01  -0.09  -0.06     0.01   0.04   0.03     0.01  -0.13   0.07
     4   6     0.01  -0.04   0.01     0.02  -0.02  -0.03    -0.07   0.00   0.01
     5   8    -0.24   0.28  -0.12     0.04   0.07  -0.12    -0.13   0.10  -0.05
     6   6     0.02   0.06   0.15    -0.00  -0.08  -0.20     0.01   0.08  -0.11
     7   7    -0.04  -0.04  -0.24    -0.03   0.03   0.10     0.01  -0.12   0.07
     8   8     0.21  -0.24   0.15     0.01  -0.14  -0.01    -0.16   0.13  -0.06
     9   1     0.02  -0.20  -0.04     0.03   0.10   0.02    -0.00  -0.12   0.07
    10   1    -0.11   0.04   0.04     0.16   0.20  -0.02     0.15  -0.04   0.03
    11   1    -0.24   0.32  -0.08     0.04   0.02  -0.16    -0.23   0.28  -0.14
    12   1    -0.07  -0.14  -0.29    -0.02   0.05   0.11     0.01  -0.12   0.07
    13   1     0.01   0.07  -0.25    -0.05  -0.02   0.10    -0.00  -0.13   0.07
    14   1    -0.01   0.09   0.22     0.05   0.01  -0.20     0.11   0.12  -0.23
    15   1     0.11   0.07   0.17    -0.11  -0.28  -0.16    -0.10   0.14  -0.14
    16   1    -0.02   0.07   0.16     0.03  -0.08  -0.41    -0.07   0.09  -0.08
    17   1     0.00   0.00  -0.05    -0.02   0.17   0.41     0.24  -0.14  -0.02
    18   1     0.20  -0.01   0.07    -0.22  -0.10   0.27     0.42  -0.11   0.09
    19   1    -0.00   0.04   0.18    -0.03   0.07   0.19     0.26   0.04   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    219.4436               235.8345               252.0576
 Red. masses --      1.0871                 1.2515                 1.2267
 Frc consts  --      0.0308                 0.0410                 0.0459
 IR Inten    --      0.5629                 1.6516                31.6835
 RamAct Fr= 1--      0.2025                 0.0523                 0.4571
  Dep-P Fr= 1--      0.7206                 0.4989                 0.6192
  Dep-U Fr= 1--      0.8376                 0.6657                 0.7648
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0011
 Beta2  Fr= 1--      0.0283                 0.0058                 0.0583
 AlphaG Fr= 1--      0.0006                -0.0021                 0.0043
 Gamma2 Fr= 1--     -0.0035                 0.0276                -0.1185
 Delta2 Fr= 1--     -0.0068                 0.0135                -0.0712
 Raman1 Fr= 1--       0.810                  0.209                  1.828
 ROA1   Fr= 1--      -0.557                  3.080                -13.659
 CID1   Fr= 1--      -0.688                 14.727                 -7.471
 Raman2 Fr= 1--       0.339                  0.070                  0.699
 ROA2   Fr= 1--      -0.030                  0.554                 -2.275
 CID2   Fr= 1--      -0.088                  7.955                 -3.254
 Raman3 Fr= 1--       0.678                  0.139                  1.398
 ROA3   Fr= 1--      -0.557                  3.080                -13.659
 CID3   Fr= 1--      -0.822                 22.122                 -9.769
 RC180  Fr= 1--       0.675                  0.331                  0.530
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.03     0.01  -0.00   0.03    -0.00   0.01   0.00
     2   6    -0.00   0.01   0.01    -0.03   0.01  -0.05    -0.01   0.01  -0.01
     3   6    -0.00   0.01   0.01    -0.02   0.03  -0.06    -0.02  -0.00  -0.00
     4   6    -0.00  -0.00   0.01     0.00   0.01  -0.03    -0.02  -0.00   0.02
     5   8     0.03  -0.00  -0.01    -0.03  -0.03   0.01     0.01  -0.00  -0.01
     6   6    -0.01  -0.00  -0.02    -0.01  -0.01  -0.00    -0.00   0.02   0.01
     7   7     0.02   0.01  -0.03     0.01   0.00   0.06     0.08  -0.01  -0.06
     8   8    -0.02  -0.03   0.01     0.06   0.01  -0.01    -0.06  -0.03   0.01
     9   1    -0.01  -0.02   0.02    -0.03   0.09  -0.07    -0.05  -0.04  -0.00
    10   1     0.02   0.01   0.02    -0.08   0.04  -0.06    -0.02   0.01  -0.00
    11   1     0.03  -0.03  -0.02     0.00  -0.04   0.07     0.01  -0.03  -0.03
    12   1    -0.01  -0.00  -0.02    -0.08   0.06   0.20    -0.40  -0.03   0.41
    13   1     0.07   0.05  -0.03     0.13  -0.11   0.12     0.76  -0.03   0.15
    14   1     0.01  -0.42  -0.38    -0.04   0.07   0.10    -0.02   0.06   0.05
    15   1    -0.26   0.46  -0.19     0.07  -0.12   0.04     0.03  -0.02   0.03
    16   1     0.20  -0.04   0.45    -0.04  -0.01  -0.10    -0.02   0.02  -0.04
    17   1    -0.10   0.04  -0.12    -0.21   0.03  -0.39     0.05   0.01   0.09
    18   1     0.15  -0.02   0.04     0.54  -0.11   0.07    -0.10   0.02   0.00
    19   1    -0.11   0.01   0.18    -0.23   0.07   0.50     0.05   0.02  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    274.4847               302.1049               357.1657
 Red. masses --      2.1703                 2.6574                 2.8159
 Frc consts  --      0.0963                 0.1429                 0.2116
 IR Inten    --      4.3383                 6.4600                 7.8051
 RamAct Fr= 1--      0.3374                 0.2813                 1.2829
  Dep-P Fr= 1--      0.2815                 0.5115                 0.1057
  Dep-U Fr= 1--      0.4393                 0.6768                 0.1912
 Alpha2 Fr= 1--      0.0037                 0.0013                 0.0221
 Beta2  Fr= 1--      0.0247                 0.0317                 0.0409
 AlphaG Fr= 1--      0.0030                -0.0072                 0.0057
 Gamma2 Fr= 1--     -0.0569                 0.2849                -0.2117
 Delta2 Fr= 1--     -0.0584                 0.1233                -0.0233
 Raman1 Fr= 1--       1.350                  1.125                  5.132
 ROA1   Fr= 1--      -7.331                 31.293                -21.072
 CID1   Fr= 1--      -5.431                 27.812                 -4.106
 Raman2 Fr= 1--       0.296                  0.381                  0.491
 ROA2   Fr= 1--      -0.898                  5.850                 -4.895
 CID2   Fr= 1--      -3.028                 15.365                 -9.976
 Raman3 Fr= 1--       0.593                  0.762                  0.981
 ROA3   Fr= 1--      -7.331                 31.293                -21.072
 CID3   Fr= 1--     -12.362                 41.093                -21.473
 RC180  Fr= 1--      -0.121                  0.354                 -0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.07    -0.01  -0.07   0.05    -0.11  -0.07  -0.01
     2   6    -0.00   0.01  -0.05    -0.10  -0.05  -0.00    -0.00  -0.07   0.09
     3   6     0.01  -0.02  -0.10    -0.03   0.01  -0.03     0.05  -0.08   0.06
     4   6     0.02  -0.02  -0.10    -0.02   0.03  -0.03     0.10   0.00   0.02
     5   8    -0.11  -0.04   0.01     0.02  -0.02  -0.01     0.13   0.06  -0.03
     6   6     0.02   0.04   0.04    -0.19   0.15  -0.02    -0.12   0.09  -0.04
     7   7    -0.05  -0.05   0.10     0.23  -0.02   0.03    -0.13  -0.06  -0.03
     8   8     0.14   0.07  -0.06     0.04  -0.05   0.02     0.11   0.10  -0.00
     9   1     0.06   0.08  -0.11    -0.01   0.02  -0.03     0.11  -0.13   0.07
    10   1    -0.06   0.06  -0.06    -0.14  -0.04  -0.01     0.02  -0.12   0.10
    11   1    -0.09   0.04   0.12     0.08  -0.14   0.05     0.06   0.12  -0.16
    12   1    -0.19   0.00   0.29     0.57   0.17  -0.16    -0.44  -0.24   0.14
    13   1     0.04  -0.26   0.17    -0.00   0.03  -0.05     0.06  -0.10   0.04
    14   1    -0.01  -0.17  -0.08    -0.07   0.29  -0.06     0.06   0.29  -0.14
    15   1    -0.00   0.32  -0.04    -0.18   0.20  -0.04    -0.21   0.09  -0.06
    16   1     0.09   0.02   0.33    -0.40   0.17  -0.01    -0.35   0.12  -0.12
    17   1     0.14   0.04   0.41     0.06  -0.10   0.17    -0.20   0.00  -0.14
    18   1    -0.37  -0.08   0.09    -0.09  -0.12   0.07    -0.03  -0.00  -0.03
    19   1     0.15   0.03  -0.17     0.08   0.02  -0.00    -0.22  -0.19   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    378.0153               429.9850               522.2306
 Red. masses --      2.6320                 2.6335                 3.5705
 Frc consts  --      0.2216                 0.2869                 0.5737
 IR Inten    --      4.3133                 2.3900                15.7536
 RamAct Fr= 1--      1.0516                 0.8539                 3.6428
  Dep-P Fr= 1--      0.7333                 0.0374                 0.1387
  Dep-U Fr= 1--      0.8461                 0.0721                 0.2435
 Alpha2 Fr= 1--      0.0003                 0.0174                 0.0580
 Beta2  Fr= 1--      0.1483                 0.0103                 0.1479
 AlphaG Fr= 1--      0.0008                -0.0034                 0.0025
 Gamma2 Fr= 1--      0.0808                -0.0382                -0.0539
 Delta2 Fr= 1--      0.1916                 0.0086                 0.1842
 Raman1 Fr= 1--       4.207                  3.415                 14.571
 ROA1   Fr= 1--      13.888                 -3.389                  0.716
 CID1   Fr= 1--       3.302                 -0.992                  0.049
 Raman2 Fr= 1--       1.780                  0.123                  1.774
 ROA2   Fr= 1--       0.407                 -0.985                 -2.768
 CID2   Fr= 1--       0.229                 -8.001                 -1.560
 Raman3 Fr= 1--       3.559                  0.246                  3.549
 ROA3   Fr= 1--      13.888                 -3.389                  0.716
 CID3   Fr= 1--       3.902                -13.756                  0.202
 RC180  Fr= 1--       0.692                 -0.856                 -0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18  -0.10   0.02     0.04   0.12  -0.06    -0.01  -0.20   0.03
     2   6    -0.12  -0.04  -0.00    -0.04   0.08   0.22     0.09  -0.13   0.06
     3   6    -0.07   0.07  -0.03     0.04  -0.00   0.06     0.08   0.13   0.09
     4   6     0.00   0.08  -0.01     0.01  -0.04  -0.08     0.01   0.02  -0.09
     5   8     0.09   0.05  -0.02    -0.10  -0.07  -0.00    -0.13  -0.06   0.04
     6   6    -0.11  -0.14   0.02    -0.10  -0.08  -0.03     0.04   0.04  -0.02
     7   7    -0.09   0.09  -0.03     0.05   0.00   0.01    -0.03   0.25  -0.05
     8   8     0.05   0.03   0.03     0.08   0.00  -0.06    -0.01  -0.07  -0.08
     9   1    -0.06   0.08  -0.03     0.25  -0.07   0.09     0.20   0.18   0.09
    10   1    -0.16  -0.05  -0.00    -0.02   0.07   0.22     0.17  -0.24   0.09
    11   1     0.15  -0.12  -0.03    -0.09   0.03   0.12    -0.03   0.00   0.34
    12   1    -0.22   0.03   0.06     0.02  -0.00   0.04    -0.25   0.03  -0.01
    13   1    -0.00   0.06   0.01     0.13   0.03   0.02     0.11   0.36  -0.03
    14   1    -0.16  -0.25   0.00    -0.01  -0.11  -0.18     0.19   0.21  -0.09
    15   1    -0.16  -0.14   0.02    -0.42  -0.25  -0.02     0.02   0.12  -0.04
    16   1     0.03  -0.15   0.04     0.05  -0.08  -0.23    -0.19   0.06  -0.01
    17   1     0.36  -0.38   0.16     0.05  -0.09  -0.22    -0.04  -0.11   0.04
    18   1     0.16  -0.12   0.03     0.12   0.45  -0.16    -0.02  -0.26   0.04
    19   1     0.42   0.19  -0.09     0.07   0.04  -0.19    -0.05  -0.23   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    622.2897               663.4607               762.4376
 Red. masses --      1.2548                 3.5789                 3.4654
 Frc consts  --      0.2863                 0.9282                 1.1869
 IR Inten    --     82.6469                19.5534                36.7627
 RamAct Fr= 1--      0.5814                 7.3132                 5.2967
  Dep-P Fr= 1--      0.4998                 0.1133                 0.1814
  Dep-U Fr= 1--      0.6665                 0.2035                 0.3071
 Alpha2 Fr= 1--      0.0029                 0.1239                 0.0755
 Beta2  Fr= 1--      0.0646                 0.2480                 0.2711
 AlphaG Fr= 1--     -0.0154                -0.0012                 0.0442
 Gamma2 Fr= 1--     -0.2611                -1.3093                -0.3026
 Delta2 Fr= 1--     -0.0539                -0.3920                 0.4427
 Raman1 Fr= 1--       2.326                 29.253                 21.187
 ROA1   Fr= 1--     -26.788               -138.238                -14.887
 CID1   Fr= 1--     -11.518                 -4.726                 -0.703
 Raman2 Fr= 1--       0.775                  2.976                  3.254
 ROA2   Fr= 1--      -5.835                -28.288                -10.805
 CID2   Fr= 1--      -7.529                 -9.504                 -3.321
 Raman3 Fr= 1--       1.550                  5.953                  6.508
 ROA3   Fr= 1--     -26.788               -138.238                -14.887
 CID3   Fr= 1--     -17.282                -23.223                 -2.288
 RC180  Fr= 1--       0.333                 -0.593                 -0.386
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.03  -0.00     0.01  -0.07   0.03
     2   6    -0.03   0.01  -0.04    -0.02   0.01  -0.00     0.05  -0.02   0.14
     3   6     0.02   0.02  -0.01     0.13  -0.02  -0.13    -0.05   0.01  -0.14
     4   6     0.06  -0.06   0.03     0.15   0.09  -0.03    -0.19   0.27  -0.12
     5   8     0.03  -0.04   0.04     0.03   0.14   0.20     0.07  -0.07   0.04
     6   6    -0.04  -0.01   0.01    -0.07  -0.01   0.01     0.11   0.03  -0.01
     7   7     0.01   0.04   0.00    -0.01  -0.06   0.01    -0.02  -0.04  -0.01
     8   8    -0.01  -0.02  -0.02    -0.14  -0.14  -0.12     0.01  -0.07   0.09
     9   1    -0.02   0.06  -0.02     0.13  -0.05  -0.13     0.07  -0.05  -0.12
    10   1    -0.05   0.00  -0.04    -0.13   0.07  -0.03    -0.04   0.08   0.10
    11   1    -0.44   0.80  -0.32     0.22   0.15   0.66    -0.26   0.39  -0.33
    12   1     0.02   0.04  -0.01    -0.14  -0.12   0.08    -0.03   0.09   0.11
    13   1     0.02   0.06  -0.00    -0.22  -0.34   0.01    -0.10  -0.30   0.02
    14   1    -0.06  -0.02   0.03    -0.03  -0.01  -0.04     0.25   0.07  -0.17
    15   1    -0.02  -0.00   0.01    -0.14  -0.03   0.01    -0.09  -0.01  -0.03
    16   1    -0.03  -0.01   0.02    -0.07  -0.01  -0.01     0.09   0.04  -0.10
    17   1     0.03  -0.03   0.03     0.02  -0.01  -0.01    -0.05  -0.07  -0.11
    18   1     0.01  -0.06   0.02     0.01   0.06  -0.01    -0.03   0.20  -0.06
    19   1     0.04   0.08   0.02     0.03   0.05  -0.02    -0.04  -0.30  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    832.6382               856.8530               912.1157
 Red. masses --      2.6529                 1.9549                 2.0885
 Frc consts  --      1.0837                 0.8456                 1.0237
 IR Inten    --     66.2397                56.0529                34.1272
 RamAct Fr= 1--      6.7254                 5.3037                 1.3567
  Dep-P Fr= 1--      0.0880                 0.1787                 0.7466
  Dep-U Fr= 1--      0.1618                 0.3031                 0.8549
 Alpha2 Fr= 1--      0.1212                 0.0762                 0.0001
 Beta2  Fr= 1--      0.1814                 0.2680                 0.1933
 AlphaG Fr= 1--      0.0308                -0.0301                 0.0027
 Gamma2 Fr= 1--     -0.5298                 0.8328                 0.4954
 Delta2 Fr= 1--     -0.0792                 0.3313                 0.2423
 Raman1 Fr= 1--      26.902                 21.215                  5.427
 ROA1   Fr= 1--     -53.394                 90.551                 55.308
 CID1   Fr= 1--      -1.985                  4.268                 10.191
 Raman2 Fr= 1--       2.176                  3.216                  2.320
 ROA2   Fr= 1--     -12.081                 17.336                  9.951
 CID2   Fr= 1--      -5.551                  5.391                  4.289
 Raman3 Fr= 1--       4.353                  6.431                  4.640
 ROA3   Fr= 1--     -53.394                 90.551                 55.308
 CID3   Fr= 1--     -12.267                 14.080                 11.921
 RC180  Fr= 1--      -0.676                 -0.394                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.02    -0.02  -0.11   0.03    -0.07  -0.11  -0.00
     2   6    -0.02  -0.01  -0.05    -0.02   0.05   0.08    -0.14   0.10   0.02
     3   6    -0.11  -0.00   0.20    -0.11   0.05  -0.07    -0.04  -0.05   0.09
     4   6    -0.01   0.14  -0.13     0.08  -0.10   0.04     0.01  -0.00  -0.02
     5   8     0.03   0.00   0.06     0.01   0.05   0.02     0.01   0.01   0.01
     6   6    -0.00   0.00  -0.03     0.08   0.04   0.00     0.10   0.11  -0.06
     7   7    -0.08  -0.14  -0.00    -0.08  -0.05   0.00     0.09   0.03   0.00
     8   8     0.07  -0.05  -0.08    -0.01   0.02  -0.05     0.02  -0.01  -0.03
     9   1    -0.02   0.02   0.20    -0.18   0.08  -0.08    -0.02  -0.13   0.10
    10   1     0.20  -0.13   0.00    -0.16   0.14   0.04    -0.10   0.09   0.02
    11   1     0.01   0.26   0.22     0.06   0.01   0.10     0.02   0.05   0.08
    12   1     0.27   0.02  -0.18     0.42   0.45  -0.05    -0.28  -0.32   0.05
    13   1     0.43   0.41   0.01     0.38   0.16   0.07    -0.32  -0.12  -0.06
    14   1    -0.18  -0.07   0.16     0.19   0.03  -0.14    -0.13  -0.14   0.06
    15   1     0.25   0.03  -0.00    -0.13  -0.04  -0.01     0.15  -0.09   0.00
    16   1     0.06  -0.01   0.09     0.15   0.04  -0.13     0.51   0.07  -0.14
    17   1     0.02   0.10   0.06    -0.02  -0.25  -0.09     0.02  -0.40  -0.03
    18   1     0.01  -0.11   0.03     0.01   0.11  -0.04     0.07  -0.08  -0.01
    19   1     0.01   0.15   0.07    -0.01  -0.21  -0.09     0.07   0.10  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.6335               959.8880               988.0867
 Red. masses --      1.2349                 1.6735                 1.9873
 Frc consts  --      0.6410                 0.9085                 1.1432
 IR Inten    --      1.7068                15.9182                23.3525
 RamAct Fr= 1--      0.8730                 5.8986                 3.9683
  Dep-P Fr= 1--      0.4297                 0.5850                 0.4361
  Dep-U Fr= 1--      0.6011                 0.7382                 0.6074
 Alpha2 Fr= 1--      0.0058                 0.0182                 0.0257
 Beta2  Fr= 1--      0.0875                 0.7257                 0.4017
 AlphaG Fr= 1--     -0.0234                -0.0418                -0.0532
 Gamma2 Fr= 1--      0.4080                -0.1494                 0.2955
 Delta2 Fr= 1--      0.3971                 0.1854                -0.0902
 Raman1 Fr= 1--       3.492                 23.594                 15.873
 ROA1   Fr= 1--      51.880                 -8.406                 25.482
 CID1   Fr= 1--      14.858                 -0.356                  1.605
 Raman2 Fr= 1--       1.049                  8.708                  4.820
 ROA2   Fr= 1--       6.616                 -5.068                  7.814
 CID2   Fr= 1--       6.304                 -0.582                  1.621
 Raman3 Fr= 1--       2.099                 17.416                  9.641
 ROA3   Fr= 1--      51.880                 -8.406                 25.482
 CID3   Fr= 1--      24.718                 -0.483                  2.643
 RC180  Fr= 1--       0.202                  0.476                  0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.07    -0.10   0.03  -0.01     0.01  -0.11   0.03
     2   6     0.00  -0.03   0.00    -0.08  -0.01   0.00     0.02   0.11  -0.03
     3   6    -0.06  -0.02   0.00     0.13   0.05  -0.00     0.17   0.05  -0.02
     4   6     0.02  -0.01  -0.00    -0.02   0.02   0.02    -0.02   0.03   0.02
     5   8     0.01   0.01   0.01    -0.02  -0.02  -0.02    -0.02  -0.03  -0.02
     6   6    -0.00  -0.06  -0.05     0.09  -0.03  -0.02    -0.11   0.04  -0.04
     7   7     0.02   0.04  -0.00    -0.04  -0.06  -0.00    -0.05  -0.06   0.00
     8   8     0.01  -0.00  -0.02    -0.02   0.01   0.04    -0.03   0.01   0.05
     9   1    -0.12  -0.04  -0.00     0.26   0.07   0.00     0.33   0.09  -0.01
    10   1     0.25   0.30  -0.06    -0.05  -0.04   0.01     0.21   0.29  -0.06
    11   1     0.01   0.03   0.04    -0.02  -0.07  -0.08    -0.03  -0.08  -0.08
    12   1    -0.06  -0.01   0.04     0.09  -0.00  -0.07     0.13   0.03  -0.08
    13   1    -0.07  -0.03  -0.01     0.14   0.06   0.02     0.19   0.08   0.03
    14   1    -0.05   0.11   0.15     0.26   0.18  -0.10    -0.48  -0.20   0.27
    15   1     0.38   0.23  -0.08     0.07   0.16  -0.08     0.21  -0.05   0.04
    16   1    -0.31  -0.04   0.26    -0.22   0.00   0.04     0.23   0.00   0.09
    17   1    -0.02  -0.28  -0.18     0.11  -0.47   0.03    -0.06  -0.11  -0.11
    18   1     0.09   0.47  -0.07     0.20  -0.03   0.02    -0.03   0.09  -0.04
    19   1     0.06  -0.10  -0.18     0.20   0.55   0.01    -0.03  -0.30  -0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1072.3482              1114.8054              1135.3744
 Red. masses --      1.2662                 2.5390                 2.4487
 Frc consts  --      0.8579                 1.8591                 1.8598
 IR Inten    --      7.1042                16.6552               220.9526
 RamAct Fr= 1--      3.6445                 4.1627                 2.4292
  Dep-P Fr= 1--      0.1957                 0.4032                 0.7054
  Dep-U Fr= 1--      0.3274                 0.5747                 0.8272
 Alpha2 Fr= 1--      0.0501                 0.0305                 0.0019
 Beta2  Fr= 1--      0.1989                 0.3987                 0.3349
 AlphaG Fr= 1--      0.0275                 0.0086                 0.0088
 Gamma2 Fr= 1--     -0.3493                -1.4758                 0.7525
 Delta2 Fr= 1--     -0.0233                -1.3704                -0.3268
 Raman1 Fr= 1--      14.578                 16.651                  9.717
 ROA1   Fr= 1--     -34.278               -185.535                 61.782
 CID1   Fr= 1--      -2.351                -11.143                  6.358
 Raman2 Fr= 1--       2.386                  4.785                  4.019
 ROA2   Fr= 1--      -8.196                -24.457                 20.675
 CID2   Fr= 1--      -3.435                 -5.112                  5.144
 Raman3 Fr= 1--       4.773                  9.569                  8.038
 ROA3   Fr= 1--     -34.278               -185.535                 61.782
 CID3   Fr= 1--      -7.182                -19.389                  7.686
 RC180  Fr= 1--      -0.345                  0.149                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.05    -0.03  -0.06  -0.06     0.03  -0.00  -0.01
     2   6     0.01   0.01   0.07     0.11   0.12   0.05    -0.03   0.01   0.03
     3   6    -0.03  -0.05  -0.04    -0.09   0.23   0.03    -0.03   0.10  -0.01
     4   6    -0.01  -0.03  -0.00     0.05   0.00   0.02    -0.14  -0.17  -0.07
     5   8     0.01   0.02   0.02    -0.02  -0.03  -0.05     0.04   0.11   0.16
     6   6    -0.02   0.01  -0.05    -0.04  -0.06   0.04     0.01  -0.02  -0.03
     7   7    -0.02   0.06  -0.01     0.05  -0.13  -0.06     0.03  -0.05  -0.01
     8   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.03  -0.00  -0.05
     9   1     0.24  -0.43   0.05    -0.22   0.06   0.05     0.43   0.37  -0.01
    10   1     0.29  -0.20   0.14     0.45   0.04   0.10     0.07  -0.07   0.06
    11   1     0.00  -0.03  -0.05     0.00   0.12   0.14    -0.09  -0.31  -0.54
    12   1     0.16   0.48   0.15    -0.13  -0.13   0.11    -0.11  -0.23  -0.04
    13   1     0.01  -0.26   0.06    -0.27  -0.48  -0.07    -0.04   0.04  -0.05
    14   1    -0.17  -0.04   0.14     0.05   0.10   0.02     0.01   0.05   0.03
    15   1     0.22   0.02  -0.02    -0.07   0.05   0.00     0.13   0.07  -0.03
    16   1     0.05  -0.01   0.09    -0.21  -0.04   0.08    -0.05  -0.01   0.06
    17   1     0.05  -0.00   0.10     0.06  -0.11   0.09    -0.00   0.12   0.03
    18   1     0.04  -0.23   0.03     0.05  -0.31   0.02    -0.05  -0.05   0.00
    19   1     0.01   0.21   0.10     0.01   0.12   0.07    -0.06  -0.11   0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1152.5721              1196.8882              1248.7996
 Red. masses --      2.5599                 1.7459                 1.7352
 Frc consts  --      2.0036                 1.4736                 1.5944
 IR Inten    --     25.7572                 7.1083                 6.2207
 RamAct Fr= 1--      5.8345                 1.4597                 3.0523
  Dep-P Fr= 1--      0.6655                 0.6999                 0.1623
  Dep-U Fr= 1--      0.7991                 0.8234                 0.2793
 Alpha2 Fr= 1--      0.0088                 0.0013                 0.0457
 Beta2  Fr= 1--      0.7771                 0.2003                 0.1421
 AlphaG Fr= 1--     -0.0195                -0.0039                 0.0305
 Gamma2 Fr= 1--      1.9797                -0.0016                 0.5064
 Delta2 Fr= 1--      1.1397                -0.0277                 0.2292
 Raman1 Fr= 1--      23.338                  5.839                 12.209
 ROA1   Fr= 1--     226.518                 -1.041                 55.946
 CID1   Fr= 1--       9.706                 -0.178                  4.582
 Raman2 Fr= 1--       9.325                  2.404                  1.705
 ROA2   Fr= 1--      38.394                  0.183                 10.319
 CID2   Fr= 1--       4.117                  0.076                  6.053
 Raman3 Fr= 1--      18.650                  4.808                  3.409
 ROA3   Fr= 1--     226.518                 -1.041                 55.946
 CID3   Fr= 1--      12.145                 -0.217                 16.409
 RC180  Fr= 1--       0.598                  0.647                 -0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.08  -0.04    -0.09   0.04   0.06    -0.04   0.00  -0.08
     2   6     0.12   0.18  -0.10     0.13  -0.12  -0.04     0.08   0.00   0.15
     3   6     0.01  -0.16   0.05    -0.02   0.02  -0.02    -0.03  -0.09  -0.11
     4   6    -0.09   0.00  -0.06    -0.02  -0.02  -0.01     0.01   0.01   0.01
     5   8     0.02   0.03   0.06     0.00   0.02   0.03     0.00  -0.00  -0.01
     6   6    -0.04  -0.06   0.11    -0.05   0.10   0.05    -0.03  -0.00  -0.06
     7   7    -0.01   0.06   0.03     0.00  -0.00  -0.01     0.01   0.01   0.05
     8   8     0.03  -0.01  -0.03     0.01  -0.00  -0.02    -0.01   0.00   0.01
     9   1    -0.09  -0.17   0.03    -0.17   0.17  -0.07    -0.23   0.43  -0.22
    10   1     0.14   0.49  -0.18     0.30  -0.25   0.00    -0.01   0.17   0.10
    11   1    -0.01  -0.12  -0.17    -0.03  -0.09  -0.14     0.02   0.04   0.07
    12   1     0.05   0.09  -0.00    -0.01   0.00   0.00    -0.09  -0.32  -0.13
    13   1     0.08   0.16   0.03    -0.02  -0.03  -0.01     0.08   0.45  -0.02
    14   1     0.21   0.08  -0.13    -0.18  -0.23  -0.02    -0.15  -0.00   0.12
    15   1    -0.40   0.01   0.04    -0.21  -0.27   0.13     0.18   0.01  -0.02
    16   1    -0.29  -0.03  -0.06     0.33   0.06  -0.14     0.03  -0.01   0.14
    17   1     0.03  -0.26   0.01     0.02  -0.34  -0.04     0.09  -0.02   0.17
    18   1     0.10  -0.19  -0.01     0.22   0.26  -0.01     0.06  -0.27   0.01
    19   1     0.06   0.13  -0.03     0.15   0.26  -0.12    -0.01   0.23   0.11
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1284.0916              1346.2876              1363.1396
 Red. masses --      1.3605                 1.5217                 1.4860
 Frc consts  --      1.3217                 1.6250                 1.6269
 IR Inten    --      2.1901                12.2709                10.3289
 RamAct Fr= 1--      5.9380                 3.0903                 2.9492
  Dep-P Fr= 1--      0.7232                 0.7388                 0.7485
  Dep-U Fr= 1--      0.8393                 0.8498                 0.8562
 Alpha2 Fr= 1--      0.0027                 0.0006                 0.0001
 Beta2  Fr= 1--      0.8307                 0.4377                 0.4208
 AlphaG Fr= 1--      0.0047                 0.0078                -0.0012
 Gamma2 Fr= 1--     -0.8796                -0.4963                -0.6173
 Delta2 Fr= 1--     -0.9138                -0.3293                -0.3223
 Raman1 Fr= 1--      23.752                 12.361                 11.797
 ROA1   Fr= 1--    -113.685                -58.185                -69.581
 CID1   Fr= 1--      -4.786                 -4.707                 -5.898
 Raman2 Fr= 1--       9.968                  5.252                  5.050
 ROA2   Fr= 1--     -13.800                 -9.277                -12.238
 CID2   Fr= 1--      -1.384                 -1.766                 -2.423
 Raman3 Fr= 1--      19.936                 10.504                 10.100
 ROA3   Fr= 1--    -113.685                -58.185                -69.581
 CID3   Fr= 1--      -5.702                 -5.539                 -6.889
 RC180  Fr= 1--       0.679                  0.700                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01     0.03   0.00  -0.02     0.01   0.00  -0.06
     2   6     0.01  -0.00  -0.04    -0.11  -0.05  -0.00    -0.03  -0.13   0.04
     3   6    -0.08  -0.03  -0.04    -0.04   0.01  -0.06     0.05   0.02   0.07
     4   6    -0.05  -0.06  -0.02     0.10   0.06   0.06    -0.06  -0.05  -0.03
     5   8     0.04   0.00  -0.05    -0.04  -0.01   0.01     0.02   0.01  -0.00
     6   6     0.00   0.01   0.04     0.02   0.02   0.06     0.00   0.04   0.01
     7   7     0.01   0.00   0.01     0.00  -0.00   0.04    -0.01   0.00  -0.05
     8   8    -0.02   0.03   0.06    -0.01  -0.01  -0.02     0.01   0.01   0.01
     9   1     0.67   0.14   0.02     0.17  -0.19  -0.00    -0.12   0.16   0.03
    10   1     0.22   0.00  -0.03     0.70   0.30  -0.03     0.01   0.78  -0.20
    11   1     0.13   0.34   0.52    -0.08  -0.18  -0.29     0.04   0.10   0.15
    12   1    -0.04  -0.08  -0.01    -0.04  -0.18  -0.07     0.04   0.22   0.09
    13   1    -0.00   0.11  -0.02     0.04   0.21   0.00    -0.04  -0.24   0.00
    14   1     0.06  -0.02  -0.07     0.14  -0.02  -0.13     0.00  -0.07  -0.07
    15   1    -0.10  -0.03   0.03    -0.10  -0.03   0.05     0.02  -0.10   0.05
    16   1    -0.00   0.01  -0.07     0.07   0.03  -0.14     0.10   0.03  -0.02
    17   1    -0.01  -0.05  -0.03    -0.01   0.10  -0.01     0.05   0.15   0.13
    18   1     0.02   0.02   0.00    -0.10  -0.05  -0.01    -0.00  -0.05  -0.04
    19   1     0.01  -0.02  -0.03    -0.03   0.01   0.07    -0.03   0.13   0.12
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1374.2619              1402.1854              1414.7888
 Red. masses --      1.4606                 1.2364                 1.4220
 Frc consts  --      1.6252                 1.4323                 1.6770
 IR Inten    --     13.6021                 4.9096                10.0861
 RamAct Fr= 1--     10.1708                 0.0682                 3.4954
  Dep-P Fr= 1--      0.7364                 0.6032                 0.7100
  Dep-U Fr= 1--      0.8482                 0.7525                 0.8304
 Alpha2 Fr= 1--      0.0024                 0.0002                 0.0024
 Beta2  Fr= 1--      1.4378                 0.0085                 0.4838
 AlphaG Fr= 1--     -0.0071                 0.0024                -0.0028
 Gamma2 Fr= 1--      2.1383                 0.0707                 0.0294
 Delta2 Fr= 1--      0.7973                 0.0109                 0.1809
 Raman1 Fr= 1--      40.683                  0.273                 13.982
 ROA1   Fr= 1--     230.792                  7.140                  8.611
 CID1   Fr= 1--       5.673                 26.188                  0.616
 Raman2 Fr= 1--      17.254                  0.103                  5.805
 ROA2   Fr= 1--      44.941                  1.611                 -0.741
 CID2   Fr= 1--       2.605                 15.702                 -0.128
 Raman3 Fr= 1--      34.507                  0.205                 11.611
 ROA3   Fr= 1--     230.792                  7.140                  8.611
 CID3   Fr= 1--       6.688                 34.801                  0.742
 RC180  Fr= 1--       0.696                  0.505                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01   0.01    -0.01  -0.06  -0.00     0.00  -0.06  -0.00
     2   6    -0.11   0.05   0.01     0.02   0.01  -0.01    -0.01   0.03  -0.01
     3   6     0.10  -0.05  -0.01     0.00   0.01  -0.01    -0.05  -0.10   0.05
     4   6    -0.08  -0.04  -0.03    -0.01  -0.01  -0.01     0.08   0.06   0.04
     5   8     0.03   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02  -0.00
     6   6     0.02  -0.01   0.02    -0.11  -0.04   0.04     0.02  -0.01  -0.00
     7   7    -0.01   0.01  -0.01     0.00   0.00   0.01     0.00   0.00  -0.06
     8   8     0.01   0.01   0.01     0.00   0.00   0.00    -0.01  -0.01  -0.01
     9   1    -0.52   0.27  -0.14    -0.03  -0.11   0.01     0.26   0.70  -0.03
    10   1     0.59  -0.32   0.16    -0.03  -0.04   0.00     0.01  -0.07   0.02
    11   1     0.06   0.13   0.21     0.01   0.02   0.04    -0.05  -0.12  -0.16
    12   1     0.05   0.06  -0.02    -0.00  -0.04  -0.02     0.03   0.26   0.13
    13   1     0.03  -0.07   0.02     0.01   0.04   0.00    -0.08  -0.23  -0.03
    14   1     0.05   0.04   0.01     0.32   0.29  -0.26    -0.01   0.00   0.04
    15   1    -0.07   0.07  -0.02     0.42   0.22   0.02    -0.05   0.02  -0.02
    16   1    -0.01   0.00  -0.07     0.49  -0.08  -0.16    -0.06  -0.00   0.00
    17   1    -0.03   0.04  -0.05    -0.07   0.23   0.08    -0.08   0.21   0.03
    18   1    -0.12   0.06  -0.01     0.06   0.26  -0.09    -0.04   0.25  -0.09
    19   1    -0.03  -0.05   0.05     0.11   0.21   0.05     0.09   0.22   0.11
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.4246              1488.2400              1492.1368
 Red. masses --      1.2476                 1.0515                 1.0453
 Frc consts  --      1.4998                 1.3721                 1.3713
 IR Inten    --      6.4312                 4.1386                 1.9502
 RamAct Fr= 1--      0.8573                 0.9747                 7.5976
  Dep-P Fr= 1--      0.7395                 0.7288                 0.7487
  Dep-U Fr= 1--      0.8502                 0.8432                 0.8563
 Alpha2 Fr= 1--      0.0002                 0.0004                 0.0002
 Beta2  Fr= 1--      0.1215                 0.1370                 1.0843
 AlphaG Fr= 1--     -0.0002                -0.0043                -0.0020
 Gamma2 Fr= 1--     -0.0816                 0.2546                -0.2408
 Delta2 Fr= 1--      0.0723                 0.1349                 0.8692
 Raman1 Fr= 1--       3.429                  3.899                 30.390
 ROA1   Fr= 1--      -5.523                 28.759                  4.699
 CID1   Fr= 1--      -1.611                  7.376                  0.155
 Raman2 Fr= 1--       1.458                  1.644                 13.011
 ROA2   Fr= 1--      -2.538                  5.031                -12.732
 CID2   Fr= 1--      -1.741                  3.061                 -0.979
 Raman3 Fr= 1--       2.915                  3.287                 26.022
 ROA3   Fr= 1--      -5.523                 28.759                  4.699
 CID3   Fr= 1--      -1.895                  8.748                  0.181
 RC180  Fr= 1--       0.700                  0.686                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.11  -0.01    -0.04   0.01  -0.00     0.02  -0.00   0.02
     2   6     0.00   0.00   0.00    -0.02  -0.02  -0.00     0.01  -0.02  -0.00
     3   6     0.00   0.04  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.03  -0.01     0.01   0.00   0.00    -0.01  -0.01  -0.00
     5   8     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.06   0.02  -0.02     0.02  -0.03   0.00    -0.00  -0.02  -0.04
     7   7     0.00  -0.00   0.03    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   1    -0.05  -0.31   0.01     0.01   0.02  -0.00     0.01  -0.03   0.00
    10   1    -0.01  -0.02   0.01     0.04   0.04  -0.01     0.01   0.07  -0.03
    11   1     0.01   0.04   0.06    -0.00  -0.01  -0.01     0.00   0.00   0.01
    12   1    -0.02  -0.14  -0.06     0.01   0.01   0.00    -0.00  -0.00   0.00
    13   1     0.03   0.12   0.01    -0.00  -0.02   0.00    -0.00   0.01  -0.00
    14   1    -0.18  -0.15   0.17    -0.12   0.21   0.36     0.02   0.44   0.29
    15   1    -0.24  -0.09  -0.02    -0.30   0.37  -0.16    -0.35  -0.05  -0.05
    16   1    -0.26   0.04   0.08     0.20  -0.03  -0.20     0.32  -0.06   0.32
    17   1    -0.11   0.41   0.15     0.06   0.17   0.29    -0.19   0.01  -0.39
    18   1     0.05   0.45  -0.17     0.49  -0.04   0.01    -0.30  -0.14   0.05
    19   1     0.16   0.36   0.15     0.01  -0.21  -0.26     0.18   0.21  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6469              1515.7285              1664.2101
 Red. masses --      1.0499                 1.0494                 1.0899
 Frc consts  --      1.4041                 1.4204                 1.7785
 IR Inten    --      3.4507                15.7266                33.1112
 RamAct Fr= 1--      6.7681                 0.5360                 2.5327
  Dep-P Fr= 1--      0.7499                 0.7470                 0.5745
  Dep-U Fr= 1--      0.8571                 0.8552                 0.7298
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0084
 Beta2  Fr= 1--      0.9668                 0.0764                 0.3080
 AlphaG Fr= 1--     -0.0002                 0.0000                -0.0093
 Gamma2 Fr= 1--     -0.7074                 0.5784                -0.3023
 Delta2 Fr= 1--     -0.4644                 0.2043                 0.0266
 Raman1 Fr= 1--      27.072                  2.144                 10.131
 ROA1   Fr= 1--     -82.770                 62.061                -28.172
 CID1   Fr= 1--      -3.057                 28.946                 -2.781
 Raman2 Fr= 1--      11.602                  0.917                  3.697
 ROA2   Fr= 1--     -13.262                 12.246                 -7.469
 CID2   Fr= 1--      -1.143                 13.358                 -2.020
 Raman3 Fr= 1--      23.204                  1.833                  7.393
 ROA3   Fr= 1--     -82.770                 62.061                -28.172
 CID3   Fr= 1--      -3.567                 33.849                 -3.811
 RC180  Fr= 1--       0.714                  0.710                  0.460
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03    -0.01   0.00  -0.02     0.00  -0.00   0.00
     2   6     0.03  -0.01  -0.01    -0.02   0.01  -0.03    -0.01   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.00  -0.01   0.00     0.03   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.01    -0.01   0.01  -0.03     0.00   0.00   0.00
     7   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.07  -0.02
     8   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.03  -0.04   0.01     0.02  -0.00   0.00    -0.03  -0.05  -0.01
    10   1    -0.05  -0.01  -0.02     0.06  -0.06  -0.01     0.02  -0.02  -0.00
    11   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    12   1    -0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.18   0.38   0.54
    13   1    -0.00   0.01  -0.00     0.01  -0.00   0.00    -0.37   0.58  -0.23
    14   1    -0.11   0.06   0.21     0.18   0.28  -0.05     0.00   0.00  -0.00
    15   1    -0.14   0.31  -0.11    -0.10  -0.40   0.09    -0.00  -0.00   0.00
    16   1     0.11  -0.01  -0.24     0.13  -0.03   0.53    -0.00   0.00  -0.00
    17   1     0.21  -0.36   0.10     0.22  -0.09   0.37     0.00   0.00   0.00
    18   1    -0.35   0.25  -0.09     0.19   0.20  -0.08     0.00   0.01  -0.00
    19   1    -0.30   0.02   0.51    -0.23  -0.20   0.16    -0.01  -0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1803.6597              3010.2248              3026.8372
 Red. masses --      9.5263                 1.0815                 1.0403
 Frc consts  --     18.2593                 5.7739                 5.6153
 IR Inten    --    260.4508                 4.4177                23.9904
 RamAct Fr= 1--     13.4011               167.4951                31.2189
  Dep-P Fr= 1--      0.1273                 0.1908                 0.0656
  Dep-U Fr= 1--      0.2258                 0.3204                 0.1231
 Alpha2 Fr= 1--      0.2193                 2.3308                 0.5941
 Beta2  Fr= 1--      0.5044                 8.9439                 0.6407
 AlphaG Fr= 1--     -0.0532                 0.0989                -0.0016
 Gamma2 Fr= 1--      0.0957                -3.4034                -0.1332
 Delta2 Fr= 1--     -0.2264                -3.9209                -0.6585
 Raman1 Fr= 1--      53.604                669.980                124.875
 ROA1   Fr= 1--       1.944               -452.192                -33.863
 CID1   Fr= 1--       0.036                 -0.675                 -0.271
 Raman2 Fr= 1--       6.053                107.327                  7.688
 ROA2   Fr= 1--       4.108                -50.313                  2.070
 CID2   Fr= 1--       0.679                 -0.469                  0.269
 Raman3 Fr= 1--      12.106                214.654                 15.376
 ROA3   Fr= 1--       1.944               -452.192                -33.863
 CID3   Fr= 1--       0.161                 -2.107                 -2.202
 RC180  Fr= 1--      -0.548                 -0.359                 -0.754
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.02   0.01
     2   6     0.01  -0.01   0.00     0.01  -0.02  -0.08     0.00  -0.00  -0.01
     3   6     0.03   0.01  -0.04    -0.00   0.00   0.01    -0.00   0.00   0.00
     4   6    -0.37   0.10   0.59     0.00   0.00  -0.00     0.00   0.00   0.00
     5   8     0.03  -0.01  -0.05    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.01    -0.00   0.00   0.02     0.04  -0.01  -0.03
     7   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   8     0.21  -0.08  -0.38    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   1     0.24   0.09  -0.01     0.02  -0.02  -0.14     0.01  -0.01  -0.05
    10   1    -0.06   0.02   0.01    -0.07   0.24   0.92    -0.01   0.03   0.12
    11   1     0.09   0.25   0.39     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    13   1    -0.04  -0.03  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.02  -0.01   0.02     0.01   0.00   0.01    -0.34   0.20  -0.27
    15   1     0.01   0.01  -0.01     0.02  -0.06  -0.21    -0.08   0.20   0.66
    16   1     0.01   0.00  -0.00     0.00   0.02   0.01    -0.02  -0.31  -0.02
    17   1     0.00   0.02   0.03     0.02   0.00  -0.01    -0.16  -0.05   0.08
    18   1     0.03   0.00   0.00     0.00  -0.04  -0.13     0.00  -0.08  -0.29
    19   1     0.01   0.00  -0.01    -0.01   0.01  -0.00     0.16  -0.09   0.10
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3033.0271              3066.8065              3083.8059
 Red. masses --      1.0377                 1.0853                 1.0988
 Frc consts  --      5.6245                 6.0141                 6.1567
 IR Inten    --     26.0292                14.1574                17.2742
 RamAct Fr= 1--    226.9563                64.1685                45.1335
  Dep-P Fr= 1--      0.0061                 0.0902                 0.5634
  Dep-U Fr= 1--      0.0121                 0.1655                 0.7207
 Alpha2 Fr= 1--      4.9725                 1.1507                 0.1596
 Beta2  Fr= 1--      0.4563                 1.7698                 5.4215
 AlphaG Fr= 1--     -0.4187                 0.4469                 0.0679
 Gamma2 Fr= 1--      0.1085                 6.6809                17.2146
 Delta2 Fr= 1--      0.1266                 4.5652                10.7182
 Raman1 Fr= 1--     907.825                256.674                180.534
 ROA1   Fr= 1--      14.470                787.449               1995.586
 CID1   Fr= 1--       0.016                  3.068                 11.054
 Raman2 Fr= 1--       5.475                 21.238                 65.059
 ROA2   Fr= 1--       1.591                123.819                327.406
 CID2   Fr= 1--       0.291                  5.830                  5.032
 Raman3 Fr= 1--      10.950                 42.476                130.117
 ROA3   Fr= 1--      14.470                787.449               1995.586
 CID3   Fr= 1--       1.321                 18.539                 15.337
 RC180  Fr= 1--      -0.976                 -0.669                  0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.01    -0.00  -0.00   0.01     0.01  -0.01   0.03
     2   6     0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     3   6    -0.00   0.00   0.01     0.01  -0.01  -0.08     0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.02  -0.00  -0.01     0.01   0.00   0.01    -0.04   0.00  -0.07
     7   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.09    -0.11   0.15   0.95    -0.01   0.01   0.08
    10   1    -0.01   0.03   0.12    -0.01   0.03   0.13    -0.01   0.02   0.08
    11   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.15   0.09  -0.12    -0.10   0.06  -0.07     0.54  -0.32   0.40
    15   1    -0.03   0.08   0.28     0.00  -0.01  -0.03    -0.07   0.16   0.51
    16   1    -0.01  -0.14  -0.01    -0.00  -0.05  -0.00     0.00   0.14  -0.01
    17   1     0.40   0.14  -0.20     0.07   0.02  -0.03     0.11   0.04  -0.04
    18   1    -0.00   0.17   0.60    -0.00  -0.01  -0.02     0.00  -0.07  -0.23
    19   1    -0.36   0.20  -0.22    -0.05   0.03  -0.02    -0.17   0.10  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.2570              3100.5120              3127.1100
 Red. masses --      1.0996                 1.1016                 1.0984
 Frc consts  --      6.2031                 6.2394                 6.3283
 IR Inten    --     48.5166                32.9300                12.0949
 RamAct Fr= 1--     96.1483                67.8734                58.8662
  Dep-P Fr= 1--      0.5259                 0.7292                 0.6060
  Dep-U Fr= 1--      0.6893                 0.8434                 0.7546
 Alpha2 Fr= 1--      0.4183                 0.0241                 0.1564
 Beta2  Fr= 1--     11.0465                 9.5410                 7.4037
 AlphaG Fr= 1--      0.2362                -0.0706                -0.0042
 Gamma2 Fr= 1--    -19.6606                 4.2662                -3.3538
 Delta2 Fr= 1--    -12.2816                 3.6740                -1.2534
 Raman1 Fr= 1--     384.593                271.494                235.465
 ROA1   Fr= 1--   -2280.425                527.123               -362.077
 CID1   Fr= 1--      -5.929                  1.942                 -1.538
 Raman2 Fr= 1--     132.558                114.492                 88.845
 ROA2   Fr= 1--    -373.601                 72.997                -70.465
 CID2   Fr= 1--      -2.818                  0.638                 -0.793
 Raman3 Fr= 1--     265.115                228.983                177.690
 ROA3   Fr= 1--   -2280.425                527.123               -362.077
 CID3   Fr= 1--      -8.602                  2.302                 -2.038
 RC180  Fr= 1--       0.379                  0.687                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.08    -0.09   0.01   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.03    -0.00  -0.00  -0.00     0.01  -0.09  -0.00
     7   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1    -0.01   0.01   0.10     0.00  -0.00  -0.01    -0.00   0.00   0.00
    10   1    -0.01   0.04   0.16     0.00  -0.00  -0.01    -0.00   0.01   0.03
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1     0.18  -0.11   0.13     0.04  -0.02   0.03    -0.23   0.12  -0.18
    15   1    -0.03   0.06   0.19    -0.00   0.01   0.02    -0.02   0.04   0.18
    16   1     0.00   0.04  -0.00     0.00   0.02   0.00     0.08   0.92   0.04
    17   1    -0.37  -0.13   0.16     0.62   0.24  -0.31    -0.00  -0.00   0.00
    18   1    -0.00   0.19   0.63    -0.02  -0.01  -0.05     0.00   0.00   0.00
    19   1     0.38  -0.22   0.21     0.50  -0.30   0.32    -0.01   0.01  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3480.5984              3557.6323              3708.1296
 Red. masses --      1.0492                 1.0925                 1.0638
 Frc consts  --      7.4887                 8.1467                 8.6187
 IR Inten    --      1.6433                 4.4881                50.4405
 RamAct Fr= 1--    129.0514                67.4579               213.6071
  Dep-P Fr= 1--      0.0765                 0.6073                 0.2471
  Dep-U Fr= 1--      0.1421                 0.7557                 0.3962
 Alpha2 Fr= 1--      2.3924                 0.1775                 2.5524
 Beta2  Fr= 1--      3.0560                 8.4958                14.1067
 AlphaG Fr= 1--      0.2158                 0.1584                -0.1759
 Gamma2 Fr= 1--      0.8064                -0.6418                -2.3041
 Delta2 Fr= 1--      0.4151                 0.1947                -1.7137
 Raman1 Fr= 1--     516.206                269.832                854.428
 ROA1   Fr= 1--      90.692                -55.382               -276.035
 CID1   Fr= 1--       0.176                 -0.205                 -0.323
 Raman2 Fr= 1--      36.672                101.949                169.281
 ROA2   Fr= 1--      16.032                -16.961                -41.590
 CID2   Fr= 1--       0.437                 -0.166                 -0.246
 Raman3 Fr= 1--      73.345                203.899                338.562
 ROA3   Fr= 1--      90.692                -55.382               -276.035
 CID3   Fr= 1--       1.237                 -0.272                 -0.815
 RC180  Fr= 1--      -0.716                  0.511                 -0.208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   7     0.04  -0.03  -0.03    -0.02   0.02  -0.07    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00   0.01    -0.00   0.00   0.02     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.87   0.34  -0.35
    12   1    -0.35   0.32  -0.39     0.48  -0.40   0.47     0.00  -0.00   0.00
    13   1    -0.18   0.15   0.75    -0.18   0.12   0.57    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   641.794321148.021431465.82038
           X            0.99984  -0.01670   0.00645
           Y            0.01681   0.99971  -0.01703
           Z           -0.00617   0.01714   0.99983
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13496     0.07545     0.05909
 Rotational constants (GHZ):           2.81202     1.57204     1.23122
 Zero-point vibrational energy     431240.9 (Joules/Mol)
                                  103.06904 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     78.38   101.67   246.66   315.73   339.31
          (Kelvin)            362.65   394.92   434.66   513.88   543.88
                              618.65   751.37   895.34   954.57  1096.98
                             1197.98  1232.82  1312.33  1350.48  1381.06
                             1421.64  1542.87  1603.96  1633.55  1658.29
                             1722.06  1796.74  1847.52  1937.01  1961.25
                             1977.26  2017.43  2035.57  2055.18  2141.25
                             2146.85  2167.73  2180.80  2394.43  2595.06
                             4331.04  4354.94  4363.85  4412.45  4436.91
                             4451.95  4460.95  4499.21  5007.80  5118.64
                             5335.17
 
 Zero-point correction=                           0.164251 (Hartree/Particle)
 Thermal correction to Energy=                    0.173760
 Thermal correction to Enthalpy=                  0.174704
 Thermal correction to Gibbs Free Energy=         0.129892
 Sum of electronic and zero-point Energies=           -402.406495
 Sum of electronic and thermal Energies=              -402.396986
 Sum of electronic and thermal Enthalpies=            -402.396042
 Sum of electronic and thermal Free Energies=         -402.440854
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.036             34.351             94.314
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.470
 Vibrational            107.259             28.389             25.656
 Vibration     1          0.596              1.976              4.648
 Vibration     2          0.598              1.968              4.135
 Vibration     3          0.626              1.878              2.420
 Vibration     4          0.647              1.811              1.964
 Vibration     5          0.655              1.786              1.834
 Vibration     6          0.664              1.759              1.716
 Vibration     7          0.677              1.720              1.568
 Vibration     8          0.694              1.670              1.405
 Vibration     9          0.732              1.561              1.134
 Vibration    10          0.748              1.517              1.047
 Vibration    11          0.791              1.405              0.859
 Vibration    12          0.877              1.201              0.605
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.179362D-59        -59.746269       -137.570869
 Total V=0       0.636595D+16         15.803863         36.389740
 Vib (Bot)       0.968277D-73        -73.014001       -168.120949
 Vib (Bot)    1  0.379278D+01          0.578958          1.333100
 Vib (Bot)    2  0.291827D+01          0.465125          1.070991
 Vib (Bot)    3  0.117495D+01          0.070018          0.161221
 Vib (Bot)    4  0.901596D+00         -0.044988         -0.103588
 Vib (Bot)    5  0.832999D+00         -0.079355         -0.182722
 Vib (Bot)    6  0.773555D+00         -0.111509         -0.256758
 Vib (Bot)    7  0.702467D+00         -0.153374         -0.353156
 Vib (Bot)    8  0.628757D+00         -0.201517         -0.464010
 Vib (Bot)    9  0.514146D+00         -0.288913         -0.665248
 Vib (Bot)   10  0.478964D+00         -0.319697         -0.736129
 Vib (Bot)   11  0.405225D+00         -0.392304         -0.903314
 Vib (Bot)   12  0.308452D+00         -0.510812         -1.176188
 Vib (V=0)       0.343662D+03          2.536132          5.839660
 Vib (V=0)    1  0.432560D+01          0.636046          1.464550
 Vib (V=0)    2  0.346079D+01          0.539176          1.241498
 Vib (V=0)    3  0.177691D+01          0.249665          0.574875
 Vib (V=0)    4  0.153096D+01          0.184964          0.425894
 Vib (V=0)    5  0.147154D+01          0.167772          0.386309
 Vib (V=0)    6  0.142108D+01          0.152618          0.351417
 Vib (V=0)    7  0.136224D+01          0.134254          0.309131
 Vib (V=0)    8  0.130333D+01          0.115054          0.264921
 Vib (V=0)    9  0.121718D+01          0.085355          0.196536
 Vib (V=0)   10  0.119239D+01          0.076419          0.175961
 Vib (V=0)   11  0.114359D+01          0.058270          0.134172
 Vib (V=0)   12  0.108749D+01          0.036425          0.083871
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.372014D+06          5.570559         12.826686
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1    11111111111  111111 1                                    
     7     5 4        11000000                                         8    65544444333  221111 0 9999 88 7   66   5  43332222 1     
     0     5 8        20986321                                         0    61098210764  849531 7 8631 53 6   62   2  37507531 7  75 
     8     8 1        71447370                                         4    46728852436  497355 2 8092 73 2   32   2  08724269 1  14 
 
     X     X X        XXXXXXXX                                         X    XXXXXXXXXXX  XXXXXX X XXXX XX X   XX   X  XXXXXXXX X  XX 
     X                 XX  XX                                          X    X               XX    X  X XX X   XX           X         
     X                 XX                                              X    X                X       X XX X    X                     
     X                  X                                              X                     X         XX      X                     
                                                                       X                     X          X      X                     
                                                                       X                     X                 X                     
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000049    0.000005963   -0.000000733
      2        6           0.000005019   -0.000014311    0.000003672
      3        6          -0.000016054    0.000008367   -0.000003031
      4        6           0.000011180    0.000011343    0.000012006
      5        8          -0.000004190   -0.000006111   -0.000006941
      6        6          -0.000002392   -0.000000766   -0.000006625
      7        7           0.000005978   -0.000004704    0.000002399
      8        8          -0.000000525   -0.000000095   -0.000005027
      9        1           0.000000035   -0.000000608   -0.000000371
     10        1          -0.000000806    0.000000257   -0.000000287
     11        1           0.000000196   -0.000000016   -0.000000147
     12        1          -0.000000579    0.000002362   -0.000001778
     13        1           0.000000698    0.000000241    0.000001081
     14        1           0.000000602    0.000000045   -0.000000959
     15        1           0.000000126   -0.000001360    0.000002329
     16        1          -0.000001648   -0.000002638    0.000001946
     17        1           0.000001858    0.000001877   -0.000001321
     18        1          -0.000000151    0.000000096    0.000002044
     19        1           0.000000704    0.000000057    0.000001742
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016054 RMS     0.000004789
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.912418D+02  0.317564D+01 -0.120641D+01
      2   0.317564D+01  0.832258D+02  0.190634D+01
      3  -0.120641D+01  0.190634D+01  0.732720D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.172947D+01 -0.679760D+00  0.152629D+01
      2   0.300362D+01 -0.518959D+01  0.235743D+02
      3   0.801091D+01 -0.369530D+02  0.599122D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.764960D+02 -0.218481D+02  0.676346D+01
      2  -0.333942D+02  0.159847D+02 -0.304984D+01
      3  -0.431018D+02  0.586343D+01 -0.371361D+01
      4  -0.268165D+02  0.600769D+02 -0.179640D+02
      5   0.581310D+01 -0.188187D+02  0.331971D+02
      6  -0.610612D+01 -0.251739D+01 -0.103706D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.885574D+00  0.492591D+01 -0.401743D+01  0.386795D+01 -0.111395D+01
      2   0.492591D+01 -0.153094D+01  0.552498D+00 -0.111395D+01 -0.362573D+01
      3  -0.401743D+01  0.552498D+00 -0.288777D+00  0.438340D+00 -0.301906D+00
                 6             7             8             9            10 
      1   0.438340D+00 -0.439057D+01  0.476008D+00 -0.465547D+00  0.373154D+00
      2  -0.301906D+00  0.476008D+00 -0.889290D+00  0.385740D+01 -0.470995D+01
      3   0.280178D+01 -0.465547D+00  0.385740D+01  0.468689D+01  0.242881D+01
                11            12            13            14            15 
      1  -0.470995D+01  0.242881D+01 -0.715368D+01  0.147721D+01 -0.337028D-01
      2   0.221414D+01 -0.107556D+00  0.147721D+01  0.479992D+01 -0.363717D+00
      3  -0.107556D+00  0.811059D+00 -0.337028D-01 -0.363717D+00 -0.257560D+01
                16            17            18            19            20 
      1   0.562940D+01  0.235189D-01  0.126639D+01 -0.340262D+00  0.664053D+01
      2   0.235189D-01  0.737136D+00 -0.298393D+01  0.664053D+01  0.225284D+00
      3   0.126639D+01 -0.298393D+01 -0.834696D+01 -0.521480D+00  0.313098D+00
                21            22            23            24            25 
      1  -0.521480D+00  0.457064D+01 -0.881574D+00  0.486479D+00 -0.514048D+01
      2   0.313098D+00 -0.881574D+00 -0.298302D+01  0.208525D+00 -0.643258D+00
      3  -0.724889D+00  0.486479D+00  0.208525D+00  0.154430D+01 -0.919046D+00
                26            27            28            29            30 
      1  -0.643258D+00 -0.919046D+00 -0.240523D+01 -0.294520D+01 -0.547427D+00
      2  -0.236704D+01  0.164877D+01 -0.294520D+01  0.104189D+01  0.766919D+00
      3   0.164877D+01  0.670350D+01 -0.547427D+00  0.766919D+00  0.185454D+01
                31            32            33            34            35 
      1  -0.277883D+01 -0.748892D+00  0.135296D+01 -0.394104D+01  0.415207D+00
      2  -0.748892D+00 -0.145485D+01  0.540658D+00  0.415207D+00 -0.120462D+00
      3   0.135296D+01  0.540658D+00 -0.236712D+00  0.308568D+01  0.192877D+00
                36            37            38            39            40 
      1   0.308568D+01  0.760298D+01  0.345088D+01 -0.153785D+01  0.312931D+01
      2   0.192877D+00  0.345088D+01  0.216798D+01 -0.101941D+00  0.173276D+01
      3  -0.400318D+01 -0.153785D+01 -0.101941D+00 -0.192925D+00 -0.611168D+00
                41            42            43            44            45 
      1   0.173276D+01 -0.611168D+00 -0.348941D+01 -0.150174D+01 -0.226841D+01
      2  -0.119860D+01 -0.174475D+01 -0.150174D+01 -0.282625D+01 -0.162117D+01
      3  -0.174475D+01 -0.568985D+00 -0.226841D+01 -0.162117D+01 -0.404817D+01
                46            47            48            49            50 
      1   0.699541D-01  0.353911D+01 -0.343493D+01  0.474272D+01 -0.202296D+01
      2   0.353911D+01 -0.760773D+00  0.315092D+00 -0.202296D+01 -0.594910D+01
      3  -0.343493D+01  0.315092D+00 -0.172084D+01  0.575027D+00 -0.346987D+00
                51            52            53            54            55 
      1   0.575027D+00 -0.608361D+01  0.207077D+00 -0.301633D+01  0.227464D+01
      2  -0.346987D+00  0.207077D+00 -0.662900D+00  0.248072D+01 -0.318142D+01
      3   0.278836D+01 -0.301633D+01  0.248072D+01  0.553352D+01  0.121033D+01
                56            57            58            59            60 
      1  -0.318142D+01  0.121033D+01 -0.156674D+01  0.255030D+01 -0.105597D+01
      2   0.282449D+01 -0.593961D+00  0.255030D+01  0.321686D+01  0.577035D+00
      3  -0.593961D+00  0.245861D+01 -0.105597D+01  0.577035D+00 -0.151746D+01
                61            62            63            64            65 
      1   0.192217D+01 -0.143946D+01  0.274112D+01 -0.471546D+01  0.754102D+00
      2  -0.143946D+01  0.767730D+00 -0.178165D+01  0.754102D+00 -0.190662D+01
      3   0.274112D+01 -0.178165D+01 -0.315555D+01  0.343149D+01 -0.689137D+00
                66            67            68            69            70 
      1   0.343149D+01  0.196712D+01 -0.113921D+01 -0.779174D+00  0.672846D+01
      2  -0.689137D+00 -0.113921D+01  0.228573D+01  0.185430D+01  0.435207D+00
      3  -0.270390D+01 -0.779174D+00  0.185430D+01  0.702323D+00 -0.375781D+01
                71            72            73            74            75 
      1   0.435207D+00 -0.375781D+01  0.636143D+00 -0.685589D+00 -0.105517D+01
      2   0.373659D+01  0.538107D+00 -0.685589D+00  0.321677D+00  0.490639D-02
      3   0.538107D+00  0.874714D+01 -0.105517D+01  0.490639D-02  0.981554D+00
                76            77            78            79            80 
      1  -0.922960D+00  0.227544D+00 -0.226644D-01 -0.118149D+01  0.217616D+00
      2   0.227544D+00  0.229541D+00 -0.102555D+01  0.217616D+00 -0.130405D+01
      3  -0.226644D-01 -0.102555D+01 -0.785657D+00  0.424457D+00 -0.234022D+00
                81            82            83            84            85 
      1   0.424457D+00 -0.464971D+00  0.944024D+00  0.679754D+00  0.118251D+01
      2  -0.234022D+00  0.944024D+00 -0.435945D+00 -0.879410D-02 -0.224513D+00
      3  -0.753552D+01  0.679754D+00 -0.879410D-02 -0.208419D+00  0.369408D-01
                86            87            88            89            90 
      1  -0.224513D+00  0.369408D-01  0.135101D+01 -0.501309D-01  0.249672D-01
      2   0.204370D+00  0.131833D+01 -0.501309D-01  0.200749D+01  0.132035D+01
      3   0.131833D+01  0.160377D+01  0.249672D-01  0.132035D+01  0.811023D+01
                91            92            93            94            95 
      1  -0.103696D+02 -0.494038D+01 -0.888726D+00 -0.365789D+01 -0.273070D+01
      2  -0.494038D+01 -0.356609D+01 -0.560108D+00 -0.273070D+01 -0.256584D+01
      3  -0.888726D+00 -0.560108D+00 -0.140963D+01 -0.246928D+00 -0.481050D+00
                96            97            98            99           100 
      1  -0.246928D+00  0.273548D+01  0.134932D+01 -0.840041D+00 -0.190720D+01
      2  -0.481050D+00  0.134932D+01  0.790979D+00 -0.432786D+00  0.277010D+01
      3  -0.677989D+00 -0.840041D+00 -0.432786D+00 -0.116636D+00 -0.132151D+01
               101           102           103           104           105 
      1   0.277010D+01 -0.132151D+01  0.240285D+01 -0.248175D+01  0.122038D+01
      2  -0.345412D+01  0.155801D+01 -0.248175D+01  0.518829D+01 -0.167700D+01
      3   0.155801D+01 -0.141716D+01  0.122038D+01 -0.167700D+01  0.144548D+01
               106           107           108           109           110 
      1  -0.242949D+01  0.195131D+01 -0.170982D+01 -0.188084D+00  0.809564D+00
      2   0.195131D+01 -0.361980D+01  0.222895D+01  0.809564D+00 -0.847204D+00
      3  -0.170982D+01  0.222895D+01 -0.229158D+01  0.272922D+00 -0.584866D+00
               111           112           113           114           115 
      1   0.272922D+00  0.766118D+00 -0.317186D+00 -0.570479D+00  0.154411D+01
      2  -0.584866D+00 -0.317186D+00  0.177326D+01  0.938421D+00 -0.465548D+00
      3  -0.884552D+00 -0.570479D+00  0.938421D+00  0.129297D+01 -0.100541D+01
               116           117           118           119           120 
      1  -0.465548D+00 -0.100541D+01  0.746000D+01 -0.179615D+01  0.243816D+01
      2   0.318312D+01  0.223586D+01 -0.179615D+01  0.126143D+01 -0.584615D+00
      3   0.223586D+01  0.506884D+01  0.243816D+01 -0.584615D+00  0.186029D+01
               121           122           123           124           125 
      1  -0.370833D+01  0.183265D+01 -0.792017D+00  0.498235D+01 -0.761555D+00
      2   0.183265D+01 -0.784962D+00  0.757812D+00 -0.761555D+00  0.107994D+01
      3  -0.792017D+00  0.757812D+00 -0.113089D+01  0.246458D+01 -0.902657D+00
               126           127           128           129           130 
      1   0.246458D+01  0.118382D+01 -0.460954D+00 -0.841837D+00 -0.133464D+01
      2  -0.902657D+00 -0.460954D+00  0.237762D+00  0.113889D+00  0.687330D+00
      3   0.163350D+01 -0.841837D+00  0.113889D+00  0.876038D+00  0.492153D+00
               131           132           133           134           135 
      1   0.687330D+00  0.492153D+00 -0.237717D+01  0.189391D+00  0.260156D+01
      2  -0.262416D+00 -0.105894D+01  0.189391D+00 -0.143272D+01 -0.100433D+01
      3  -0.105894D+01 -0.169957D+01  0.260156D+01 -0.100433D+01 -0.720276D+01
               136           137           138           139           140 
      1   0.536709D+00  0.126004D+01  0.321421D+00  0.291361D+01  0.214902D+01
      2   0.126004D+01  0.124285D+01 -0.474237D-01  0.214902D+01  0.793024D+01
      3   0.321421D+00 -0.474237D-01  0.337131D+00 -0.177934D+00 -0.417937D-01
               141           142           143           144           145 
      1  -0.177934D+00  0.629815D+00  0.351067D-01  0.761094D+00 -0.513643D+01
      2  -0.417937D-01  0.351067D-01  0.236882D+00  0.673307D+00 -0.218775D+01
      3   0.881955D+00  0.761094D+00  0.673307D+00 -0.423087D+00  0.180654D+01
               146           147           148           149           150 
      1  -0.218775D+01  0.180654D+01 -0.164874D+01 -0.154003D+01  0.616359D+00
      2  -0.294433D+01  0.961033D+00 -0.154003D+01 -0.193862D+01  0.880278D+00
      3   0.961033D+00 -0.142732D+01  0.616359D+00  0.880278D+00 -0.100058D+01
               151           152           153           154           155 
      1   0.214316D+01  0.792695D+00 -0.118877D+01 -0.414799D-01 -0.924442D+00
      2   0.792695D+00  0.164546D+01 -0.146481D+01 -0.924442D+00  0.233518D+00
      3  -0.118877D+01 -0.146481D+01  0.117229D+01 -0.452054D+00  0.172479D-01
               156           157           158           159           160 
      1  -0.452054D+00 -0.576759D+00  0.167907D+00 -0.192569D-01 -0.992098D+00
      2   0.172479D-01  0.167907D+00 -0.163571D+01 -0.139708D+01  0.143096D+00
      3   0.168095D+00 -0.192569D-01 -0.139708D+01 -0.159405D+01  0.235965D+00
               161           162           163           164           165 
      1   0.143096D+00  0.235965D+00  0.454574D+01 -0.326242D+01  0.202898D+01
      2  -0.323652D+01 -0.281417D+01 -0.326242D+01  0.367499D+01 -0.132429D+01
      3  -0.281417D+01 -0.609521D+01  0.202898D+01 -0.132429D+01  0.163112D+01
               166           167           168           169           170 
      1  -0.219427D+01  0.237606D+01 -0.909346D+00  0.235940D+01 -0.137386D+01
      2   0.237606D+01 -0.322936D+01  0.136343D+01 -0.137386D+01  0.227369D+01
      3  -0.909346D+00  0.136343D+01 -0.127345D+01  0.156535D+01 -0.193682D+01
               171 
      1   0.156535D+01
      2  -0.193682D+01
      3   0.156273D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.752034D+01  0.557988D+00 -0.108557D+00  0.319402D+00 -0.402080D+01
      2  -0.478150D+01 -0.903339D-01  0.218188D+01 -0.171763D+00  0.298514D+00
      3  -0.897813D+01 -0.133839D+02  0.846629D+01 -0.668081D+01  0.685283D+01
                 6             7             8             9            10 
      1   0.464967D+01 -0.935024D+00  0.118274D+02  0.104513D+02  0.107893D+00
      2   0.286528D+01 -0.129686D+01  0.408474D+01  0.519715D+01  0.374301D+01
      3  -0.692108D+00  0.920367D+01 -0.621744D+00 -0.394518D+01  0.683244D+01
                11            12            13            14            15 
      1   0.168760D+00  0.247938D+00 -0.888281D+00  0.254245D+01 -0.354904D+01
      2  -0.597243D-01  0.346428D+01 -0.137243D+01 -0.312494D+00 -0.331877D+01
      3  -0.389875D+01 -0.833513D+00  0.200613D+01 -0.757890D+01  0.604513D+00
                16            17            18            19            20 
      1   0.328673D+00  0.326753D+01 -0.289610D+01 -0.218565D+01 -0.195306D+01
      2  -0.292018D+01 -0.396949D+01 -0.104183D+02  0.302275D+01 -0.903327D+00
      3   0.203916D+01 -0.765741D+00  0.380770D+01  0.513377D+00 -0.271519D+01
                21            22            23            24            25 
      1  -0.305694D+00  0.271994D+00  0.490539D+01 -0.973367D+00  0.945790D+00
      2   0.198116D+01 -0.753894D-01 -0.310330D+01  0.114475D+01 -0.878260D+01
      3   0.110347D+01  0.234806D+00 -0.364993D+01  0.156953D+01 -0.377080D+01
                26            27            28            29            30 
      1   0.450161D+01 -0.394047D+01  0.426000D+00  0.228029D+01  0.296179D+01
      2  -0.527593D+00  0.434362D+00 -0.685238D+01  0.399654D+00 -0.294062D+01
      3   0.146972D+01 -0.439978D+00 -0.102457D+02  0.486611D+01 -0.134854D+01
                31            32            33            34            35 
      1  -0.271485D+00 -0.623031D+01 -0.619007D+01  0.228550D+01 -0.266779D+01
      2   0.372107D+01  0.209933D+01 -0.206121D+01 -0.324102D+01 -0.917621D+00
      3   0.165888D+02  0.110288D+02 -0.223120D+01 -0.948177D+01 -0.937621D+01
                36            37            38            39            40 
      1   0.492567D+01 -0.261845D+01  0.721105D+00 -0.804929D+00 -0.102524D+01
      2   0.994561D+01  0.694147D+01  0.227675D+01  0.148249D+01 -0.616222D+00
      3  -0.160430D+01  0.303401D+01 -0.128020D+00  0.936846D+00  0.275204D+01
                41            42            43            44            45 
      1   0.197063D+01 -0.216265D+01  0.272745D+01  0.609639D+01 -0.275173D+01
      2   0.348840D+01  0.114921D+01 -0.535231D+01  0.677195D+00  0.779010D+01
      3  -0.478650D+01 -0.244781D+01  0.329963D+01 -0.124406D+01 -0.170664D+01
                46            47            48            49            50 
      1   0.505832D+00  0.685372D+00  0.245533D-01  0.170856D+01  0.240449D+01
      2  -0.108927D+02  0.153222D+01 -0.475681D+01  0.284760D+01 -0.150320D+01
      3  -0.898097D+01  0.185815D+01 -0.204623D+01  0.116130D+02  0.195187D+02
                51            52            53            54            55 
      1  -0.274069D+01  0.115298D+01  0.897508D+00 -0.228240D+01 -0.113126D+01
      2   0.768489D+01 -0.138070D+02  0.692566D+01  0.150223D+02  0.171773D+01
      3   0.459367D+00 -0.416909D+01  0.154092D+01 -0.841357D+01  0.787843D+01
                56            57            58            59            60 
      1   0.371473D+01 -0.792900D+01  0.237395D+01 -0.436965D+01 -0.645988D+00
      2   0.556730D+00  0.445377D+01  0.543998D+00  0.197507D+01  0.400027D+00
      3  -0.130459D+02  0.282272D+01  0.194522D+01  0.781718D+01 -0.254516D+01
                61            62            63            64            65 
      1  -0.775518D+01  0.955839D+01  0.761565D+01  0.131432D-01 -0.406159D+01
      2  -0.229830D+00  0.406915D+00 -0.102814D+01  0.634107D+00  0.188164D+01
      3   0.377890D+01 -0.322663D+01  0.834154D+01  0.195196D+01 -0.781154D+01
                66            67            68            69            70 
      1  -0.287030D+00 -0.718719D+00  0.103102D+01 -0.911798D+00 -0.147135D+01
      2   0.863370D+01  0.429075D+00 -0.438704D+01 -0.888182D+00 -0.320396D+01
      3  -0.689786D+00 -0.290399D+01 -0.198327D+00  0.435575D+01  0.512502D+01
                71            72            73            74            75 
      1   0.688252D+01 -0.633116D+00  0.833363D+00 -0.550262D+00 -0.182211D-01
      2  -0.194696D+01 -0.164495D+02  0.764517D+00 -0.187451D+00  0.544955D+00
      3   0.840574D+01  0.221498D+01  0.661115D-01 -0.960603D+00 -0.687989D+00
                76            77            78            79            80 
      1  -0.102072D+00  0.586487D+00 -0.139111D+00 -0.381057D+00  0.391592D+01
      2  -0.701677D+00  0.212866D+00 -0.371327D+00 -0.378880D+01  0.141508D+00
      3   0.153090D+01  0.346552D-01 -0.116433D+00  0.228511D+00  0.354647D+00
                81            82            83            84            85 
      1   0.396832D+01  0.115721D+01 -0.649645D+00 -0.734477D-02 -0.261943D+00
      2   0.281238D+00  0.165760D+01 -0.605037D+00  0.250136D+00 -0.146714D+01
      3  -0.431629D+00 -0.129406D+01 -0.744716D+00 -0.705333D-01  0.142158D+01
                86            87            88            89            90 
      1   0.102612D+01 -0.350159D+00 -0.540088D+00  0.441740D+01  0.207040D+01
      2   0.205783D+01  0.196084D+01 -0.414811D+01  0.219106D+01  0.994338D+01
      3  -0.383617D+00 -0.139794D+01  0.270426D+00 -0.217870D+01 -0.151055D+01
                91            92            93            94            95 
      1   0.358841D+01  0.222237D+01 -0.149444D+01  0.210924D+01  0.171006D+01
      2  -0.598122D+01 -0.277891D+01  0.402190D+01 -0.316786D+01 -0.171535D+01
      3  -0.129882D+00 -0.501800D+01 -0.855272D+00 -0.148511D+01 -0.380450D+01
                96            97            98            99           100 
      1  -0.561766D+00 -0.106133D+01 -0.187326D+00  0.800219D+00  0.269240D+01
      2   0.177541D+01  0.223070D+01  0.108579D+01 -0.165224D+01 -0.209520D+01
      3  -0.900553D-02  0.875739D+00  0.171402D+01 -0.302609D+00 -0.640770D+01
               101           102           103           104           105 
      1  -0.287839D+01  0.441605D+01 -0.280506D+01  0.245534D+01 -0.401488D+01
      2   0.396163D+00  0.674425D+00  0.988248D+00 -0.442827D+00 -0.311915D+00
      3   0.506619D+01 -0.349683D+01  0.825936D+01 -0.620534D+01  0.341294D+01
               106           107           108           109           110 
      1   0.390448D+01 -0.312914D+01  0.479703D+01 -0.103019D+01  0.832593D+00
      2  -0.190829D+01  0.403942D+00  0.476800D-01  0.749378D+00 -0.529655D-02
      3  -0.722980D+01  0.493758D+01 -0.475483D+01 -0.115623D+01  0.387161D+00
               111           112           113           114           115 
      1   0.335094D+01  0.112509D+01 -0.316310D+01 -0.367888D+01  0.332803D+01
      2  -0.437393D+00  0.216881D+00  0.289910D+00 -0.192741D+00 -0.291898D+01
      3   0.695536D+00  0.177505D+01 -0.158519D+01 -0.160898D+01  0.455424D+01
               116           117           118           119           120 
      1  -0.389298D+01 -0.133895D+02 -0.313897D+00  0.479778D+00  0.353111D+00
      2   0.268803D+00  0.960272D+00  0.745535D+01 -0.215002D+01  0.817320D+01
      3  -0.170296D+01 -0.380149D+01  0.628690D+01 -0.684257D+01  0.270203D+01
               121           122           123           124           125 
      1  -0.232214D+00 -0.541661D+00 -0.706900D+00 -0.131342D+00  0.152393D+01
      2  -0.242045D+01  0.238183D+01 -0.462078D+01  0.617078D+01 -0.300292D+01
      3  -0.457228D+01  0.361671D+01 -0.225208D+01  0.327685D+01 -0.449011D+01
               126           127           128           129           130 
      1   0.146007D+00  0.473460D+00 -0.295841D+00 -0.527657D+00  0.288410D-01
      2   0.576101D+01 -0.237415D+01  0.162689D+00  0.385136D+01  0.359861D+00
      3   0.336472D+01  0.164628D+01 -0.175988D+01 -0.753715D+00 -0.102491D+01
               131           132           133           134           135 
      1   0.962074D+00 -0.214926D+00 -0.655998D+00  0.374349D+01  0.210631D+01
      2  -0.271123D+01 -0.485412D+01  0.342211D+01 -0.312803D+01 -0.204669D+02
      3   0.990130D+00  0.256308D+01 -0.589758D+00  0.492519D+01  0.418676D+01
               136           137           138           139           140 
      1  -0.411190D+00 -0.414525D+00 -0.601923D+00 -0.209679D+00 -0.184358D+01
      2   0.101233D+01 -0.783006D-01  0.135769D+01 -0.800849D-01  0.341141D+00
      3  -0.377571D+01 -0.257176D+01  0.333698D+00  0.161225D+00 -0.245840D+02
               141           142           143           144           145 
      1  -0.262163D+01 -0.676343D+00  0.654166D+00  0.241435D+00  0.317295D+01
      2   0.330506D+01  0.546822D+00  0.172111D+01 -0.120981D+01  0.487949D+01
      3  -0.481106D-01  0.443327D+00 -0.578063D+00 -0.984776D+00  0.165805D+02
               146           147           148           149           150 
      1  -0.464444D-01 -0.376438D+01  0.479687D+00  0.964612D+00 -0.271956D+01
      2   0.122375D+01 -0.157410D+00  0.127952D+01  0.145604D+01 -0.295977D+00
      3   0.485005D+01 -0.502768D+01  0.699303D+01  0.412967D+01 -0.234321D+01
               151           152           153           154           155 
      1  -0.262845D+01 -0.891068D+00  0.180521D+01 -0.105749D+01 -0.839751D-01
      2  -0.352777D+01 -0.133366D+01  0.840317D+00 -0.513101D+00  0.178851D+00
      3  -0.626320D+01 -0.229903D+01  0.391547D+01  0.156344D+01  0.562694D+00
               156           157           158           159           160 
      1   0.142200D+00 -0.678792D-02 -0.285922D+01 -0.545017D+01  0.408166D+00
      2   0.772442D+00 -0.373064D+00 -0.124142D+01 -0.141366D+01 -0.251183D+01
      3   0.659030D+00  0.242337D+01  0.116877D+01  0.138871D+01  0.300244D+01
               161           162           163           164           165 
      1  -0.336021D+01 -0.148194D+02  0.329780D+01 -0.729252D+00  0.435259D+01
      2  -0.280510D+01 -0.628576D+01  0.310688D+00 -0.797732D+00  0.308610D+01
      3   0.355821D+01  0.290392D+01 -0.697313D+01 -0.322728D+00 -0.286087D+01
               166           167           168           169           170 
      1  -0.129341D+01  0.151733D+01 -0.365537D+01  0.274312D+01 -0.154455D+01
      2   0.598362D-01  0.815909D+00 -0.195679D+01 -0.352423D+00 -0.186440D+01
      3   0.458219D+01 -0.792164D+00  0.736959D+00 -0.459348D+01 -0.422778D+00
               171 
      1   0.273662D+01
      2   0.188839D+01
      3  -0.839522D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.110712D+02  0.105129D+02 -0.859511D+01  0.586427D+01 -0.129286D+02
      2  -0.148389D+02 -0.249075D+01  0.372681D+01  0.250340D+00  0.185522D+02
      3   0.376770D+01 -0.802217D+01  0.486831D+01 -0.611461D+01 -0.562356D+01
      4   0.823761D+01 -0.201879D+02  0.158448D+02 -0.179552D+02 -0.712042D+00
      5  -0.797151D+01  0.816758D+01 -0.520347D+01  0.561160D+01 -0.193743D+01
      6   0.197117D+02 -0.255683D+01  0.121564D+01 -0.239655D+01  0.371651D+01
                 6             7             8             9            10 
      1   0.104614D+01 -0.934079D+01  0.181097D+01  0.769379D+01 -0.150932D+02
      2   0.103322D+01  0.276470D+01  0.128939D+01 -0.110947D+02  0.110088D+02
      3  -0.207936D+01  0.657610D+01 -0.310035D+01  0.340088D+01  0.408441D+01
      4  -0.262903D+01  0.146198D+02 -0.478785D+01  0.937708D+01 -0.113808D+02
      5   0.657301D+01 -0.613573D+01  0.898714D+01  0.100513D+02  0.102470D+02
      6  -0.125543D+02  0.240726D+01 -0.179848D+02 -0.175432D+02 -0.376367D+01
                11            12            13            14            15 
      1  -0.122025D+02  0.773328D+01 -0.146517D+02  0.149412D+02  0.227772D+01
      2   0.617994D+01 -0.591269D+01  0.845338D+01 -0.148759D+02  0.703491D+00
      3   0.602261D+01 -0.182059D+01  0.619835D+01 -0.653048D-01 -0.298121D+01
      4   0.769308D+01 -0.116870D+01  0.985139D+01  0.865792D+01  0.557086D-01
      5  -0.388981D+00  0.103716D+01 -0.351829D+00  0.422873D+00 -0.772557D+01
      6   0.810252D+00 -0.103949D+01  0.148676D+01 -0.387639D+00 -0.114745D+00
                16            17            18            19            20 
      1   0.133191D+02  0.109889D+01  0.690634D+01 -0.196170D+02 -0.945464D+01
      2  -0.622699D+01  0.364980D+01  0.635517D+01  0.158834D+02  0.899700D+01
      3  -0.709211D+01 -0.474869D+01 -0.132615D+02  0.373361D+01  0.457639D+00
      4  -0.248518D+01 -0.906185D+00 -0.761969D+01 -0.552972D+01 -0.116826D+01
      5   0.875827D+01 -0.740209D+01 -0.205676D+02 -0.504643D+01 -0.158557D+01
      6  -0.135935D+01  0.629580D+01 -0.155291D+01 -0.626414D+00 -0.259038D+01
                21            22            23            24            25 
      1  -0.189448D+01  0.354900D+01  0.640246D+01  0.830738D+00 -0.341412D+01
      2  -0.250642D+00 -0.604011D+01 -0.193802D+02  0.260867D+01 -0.165238D+01
      3   0.214512D+01  0.249111D+01  0.129777D+02 -0.343940D+01  0.506650D+01
      4  -0.286755D+00 -0.166680D+02 -0.784007D+01 -0.524718D+00  0.567268D+01
      5   0.951982D+00  0.252778D+00 -0.119059D+01  0.149856D+01  0.130535D+01
      6   0.302404D-01  0.306634D+00  0.665297D+00 -0.242927D+01  0.214515D+01
                26            27            28            29            30 
      1   0.633574D+01  0.559944D+01  0.811355D+01  0.827195D+01 -0.312970D+00
      2  -0.426196D+01  0.990598D+01  0.318030D+01 -0.166861D+01 -0.512157D+01
      3  -0.207378D+01 -0.155054D+02 -0.112938D+02 -0.660334D+01  0.543454D+01
      4  -0.128043D+01  0.151987D+01  0.116293D+02  0.165607D+01 -0.614065D+01
      5   0.251917D+01  0.288677D+01  0.681478D+01 -0.394210D+01 -0.173825D+02
      6   0.406195D+01  0.623214D+01 -0.258204D+01  0.593342D+00 -0.331479D+01
                31            32            33            34            35 
      1   0.147595D+02  0.441159D+01 -0.280218D+01  0.149178D+02  0.141940D+01
      2  -0.637160D+01 -0.214285D+00  0.513302D+01 -0.872403D+01 -0.706773D+01
      3  -0.838785D+01 -0.419731D+01 -0.233084D+01 -0.619378D+01  0.564834D+01
      4   0.856917D+01 -0.139974D+01 -0.168800D+01 -0.103031D+02  0.423825D+01
      5  -0.119894D+02 -0.522624D+00 -0.588299D+01 -0.252420D+02 -0.327619D+01
      6  -0.191765D+01 -0.743557D+01  0.844457D+00 -0.401972D+01 -0.764407D+01
                36            37            38            39            40 
      1  -0.676357D+01 -0.272057D+02 -0.149660D+02  0.623130D+01 -0.192810D+02
      2   0.116250D+02  0.674512D+01  0.526247D+01 -0.464312D+01  0.755334D+01
      3  -0.486140D+01  0.204606D+02  0.970351D+01 -0.158818D+01  0.117276D+02
      4  -0.336907D+00 -0.212562D+02 -0.860342D+01  0.297937D+01 -0.346698D+01
      5   0.158141D+02  0.579435D+01 -0.114201D+00  0.101955D+02  0.396784D+01
      6  -0.318938D+01  0.132240D+01  0.194019D+01  0.170184D+01  0.284829D+01
                41            42            43            44            45 
      1  -0.155854D+02 -0.309074D+01  0.121226D+02  0.767478D+00 -0.278982D+01
      2   0.140164D+02  0.159958D+01 -0.977514D+01 -0.262577D+00 -0.944814D+01
      3   0.156899D+01  0.149116D+01 -0.234749D+01 -0.504901D+00  0.122380D+02
      4   0.532066D+01  0.778260D+01  0.110327D+02  0.941775D+01  0.566725D+01
      5   0.695129D+01  0.590099D+01  0.191283D+02  0.884168D+01  0.223712D+02
      6   0.756534D+01  0.833759D+01  0.507874D+01  0.113724D+02  0.908738D+01
                46            47            48            49            50 
      1   0.418746D+00  0.214137D+02 -0.217138D+02  0.246620D+02 -0.904380D+01
      2  -0.141847D+01 -0.133225D+02  0.108497D+02 -0.167083D+02 -0.158672D+00
      3   0.999727D+00 -0.809117D+01  0.108641D+02 -0.795371D+01  0.920247D+01
      4   0.217834D+02 -0.539177D+01  0.222516D+01 -0.116759D+02 -0.279753D+02
      5  -0.244671D+02  0.277834D+01 -0.106546D+02  0.383457D+01 -0.437379D+01
      6   0.281061D+00  0.164701D+00  0.981802D+00 -0.941918D+00 -0.646385D+00
                51            52            53            54            55 
      1   0.569225D+01 -0.292682D+02  0.417118D+01 -0.947612D+01  0.195013D+02
      2  -0.778162D+00  0.127730D+02 -0.108195D+00  0.138558D+02 -0.168048D+02
      3  -0.491408D+01  0.164952D+02 -0.406299D+01 -0.437968D+01 -0.269656D+01
      4  -0.239410D+01  0.400401D+01 -0.925699D+00  0.135306D+02  0.805375D+01
      5   0.158735D+02 -0.196480D+02  0.142717D+02  0.280646D+02 -0.609484D+00
      6   0.940051D+00  0.190373D+01 -0.165623D+01 -0.149925D+01  0.705944D+01
                56            57            58            59            60 
      1  -0.566958D+01  0.746214D+00 -0.620229D+01 -0.133330D+02 -0.455006D+00
      2   0.961585D+01 -0.143744D+01  0.141940D+02  0.283946D+02  0.237222D+01
      3  -0.394627D+01  0.691225D+00 -0.799168D+01 -0.150616D+02 -0.191721D+01
      4  -0.686990D+01  0.549326D+01  0.560207D+01  0.189923D+02 -0.311634D+01
      5   0.276933D+01  0.116268D+01  0.277158D+01 -0.178009D+01  0.253224D+01
      6  -0.459689D+01  0.135768D+02 -0.540723D+01  0.477284D+01 -0.143904D+01
                61            62            63            64            65 
      1   0.389686D+01  0.148703D+01  0.485598D+01  0.250574D+02 -0.130408D+01
      2  -0.330091D+01  0.252623D+01 -0.682919D+01 -0.196931D+02 -0.225744D+01
      3  -0.595954D+00 -0.401327D+01  0.197321D+01 -0.536432D+01  0.356152D+01
      4   0.583182D+01 -0.295561D+01  0.121581D+02 -0.863775D+01  0.956507D+01
      5   0.338323D+01  0.451152D+01 -0.180138D+01 -0.213571D+02  0.463118D+01
      6   0.148973D+02 -0.547706D+01 -0.133652D+02  0.145782D+01 -0.349577D+01
                66            67            68            69            70 
      1  -0.926820D+01 -0.797503D+01 -0.203786D+01  0.129195D+01 -0.161688D+02
      2   0.122362D+02  0.566934D+01  0.435753D+01 -0.150625D+01  0.172737D+02
      3  -0.296796D+01  0.230569D+01 -0.231968D+01  0.214294D+00 -0.110485D+01
      4   0.561295D+01  0.991545D+01 -0.536709D+01 -0.828563D+01  0.514297D+01
      5   0.231550D+02  0.514708D+01 -0.950606D+01 -0.209416D+01  0.284541D+02
      6  -0.291004D+00 -0.335594D+01  0.244541D+01  0.811979D+01 -0.143103D+01
                71            72            73            74            75 
      1  -0.468222D+01 -0.196899D+01  0.121667D+01  0.411963D+00  0.113202D+01
      2   0.733283D+01 -0.221123D+02 -0.405511D+01 -0.923102D-01  0.103180D+01
      3  -0.265061D+01  0.240813D+02  0.283844D+01 -0.319653D+00 -0.216382D+01
      4  -0.921601D+01 -0.664493D+01  0.528504D+00  0.186832D+01 -0.570325D+00
      5  -0.300144D+01 -0.399871D+02 -0.132933D+01  0.231979D+00  0.587715D+01
      6   0.912322D+01  0.612038D+00 -0.979017D+00 -0.798014D+00  0.470498D+00
                76            77            78            79            80 
      1   0.430946D+00 -0.408737D+01 -0.919720D+00 -0.648512D-01  0.709483D+00
      2   0.932173D-01  0.147436D+01 -0.189424D+01  0.184268D+01 -0.278540D+01
      3  -0.524163D+00  0.261301D+01  0.281396D+01 -0.177782D+01  0.207591D+01
      4   0.188041D+01 -0.359241D+00 -0.360995D+00 -0.105241D+01 -0.120527D+00
      5   0.120483D+00 -0.770029D+00 -0.902884D+00  0.385805D+01 -0.595108D-01
      6  -0.284100D+00  0.438767D+00  0.541432D+01  0.563372D-01  0.357807D+01
                81            82            83            84            85 
      1  -0.160821D+02  0.245964D+01  0.218080D+01  0.214900D+01  0.292833D+01
      2  -0.148243D+02 -0.451362D+01 -0.891005D+00 -0.418424D+00 -0.188598D+01
      3   0.309064D+02  0.205397D+01 -0.128980D+01 -0.173057D+01 -0.104235D+01
      4   0.413925D+00  0.236172D+01  0.819919D+00  0.588288D+00  0.122274D+01
      5  -0.208085D+01  0.842936D+00  0.689833D+00  0.569725D+01  0.227959D+00
      6  -0.614562D+01  0.824558D+00 -0.270780D+00 -0.415704D+00  0.192752D+00
                86            87            88            89            90 
      1  -0.541986D+01 -0.267433D+01  0.378023D+01 -0.148942D+01 -0.160575D+02
      2   0.190718D+01 -0.122887D+01 -0.237308D+01 -0.342866D+01 -0.149619D+02
      3   0.351268D+01  0.390320D+01 -0.140715D+01  0.491809D+01  0.310194D+02
      4   0.553654D+00  0.284227D+01  0.673543D+00  0.372189D+01  0.376698D+01
      5   0.317873D+01  0.389984D+01  0.326830D+01  0.334303D+01  0.186662D+02
      6   0.318513D+01  0.746941D+01  0.287912D+00  0.407699D+01  0.284875D+01
                91            92            93            94            95 
      1   0.517323D+02  0.208232D+02  0.219076D+01  0.118798D+02  0.837164D+01
      2  -0.228866D+02 -0.750622D+01 -0.226756D+01 -0.202491D+01  0.647538D+00
      3  -0.288458D+02 -0.133170D+02  0.768001D-01 -0.985490D+01 -0.901918D+01
      4   0.309627D+02  0.196410D+02  0.258365D+01  0.183643D+02  0.150387D+02
      5   0.103618D+02  0.508690D+01  0.718700D+01  0.325312D+01  0.327293D+01
      6   0.264424D+01  0.245805D+01  0.206490D+01  0.204526D+01  0.172882D+01
                96            97            98            99           100 
      1   0.104463D+01 -0.129118D+02 -0.563260D+01  0.296129D+01 -0.315256D+01
      2  -0.103525D+01  0.400753D+01  0.754502D+00 -0.135605D+01  0.799135D+01
      3  -0.938819D-02  0.890422D+01  0.487810D+01 -0.160523D+01 -0.483878D+01
      4   0.130121D+01 -0.900848D+01 -0.576146D+01  0.328937D+01 -0.105925D+02
      5   0.315208D+01  0.528152D+01  0.249977D+01  0.161122D+00  0.362137D+01
      6   0.221683D+01  0.268868D+01  0.212330D+01 -0.347949D+00 -0.787412D+01
               101           102           103           104           105 
      1   0.813363D+01 -0.334713D+01  0.524833D+01 -0.136950D+02  0.468927D+01
      2  -0.145370D+02  0.517482D+01 -0.105448D+02  0.230104D+02 -0.738912D+01
      3   0.640332D+01 -0.182769D+01  0.529649D+01 -0.931533D+01  0.269985D+01
      4   0.156369D+02 -0.725614D+01  0.133519D+02 -0.139194D+02  0.622863D+01
      5  -0.416487D+01  0.450773D+01 -0.242375D+01  0.364877D+01 -0.215321D+01
      6   0.100826D+02 -0.896637D+01  0.781488D+01 -0.114110D+02  0.936790D+01
               106           107           108           109           110 
      1  -0.455634D+01  0.896368D+01 -0.713132D+01 -0.212748D+01  0.253443D+01
      2   0.559535D+01 -0.110767D+02  0.564954D+01  0.254698D+01 -0.383790D+01
      3  -0.103900D+01  0.211299D+01  0.148178D+01 -0.419497D+00  0.130347D+01
      4  -0.953305D+01  0.946078D+01 -0.789532D+01 -0.992426D+00  0.501607D+01
      5   0.454212D+01 -0.386658D+01  0.425103D+01 -0.115527D+01  0.253269D+00
      6  -0.942759D+01  0.136885D+02 -0.121505D+02  0.820474D+00 -0.360012D+01
               111           112           113           114           115 
      1   0.167976D+01  0.666391D+00 -0.580781D+01 -0.300979D+01  0.936437D+00
      2  -0.237942D+01 -0.148034D+01  0.813111D+01  0.414471D+01 -0.149319D+01
      3   0.699660D+00  0.813951D+00 -0.232330D+01 -0.113492D+01  0.556753D+00
      4   0.940048D+00  0.422835D+01 -0.254651D+01 -0.289185D+01  0.485573D+01
      5   0.204365D+01  0.113631D+00 -0.138734D+01 -0.105653D+01  0.152782D+01
      6  -0.501796D+01 -0.326145D+01  0.493533D+01  0.839089D+01 -0.534075D+01
               116           117           118           119           120 
      1  -0.100522D+02 -0.100701D+02  0.554786D+02 -0.113025D+02  0.168560D+02
      2   0.113176D+02  0.460007D+01 -0.296981D+02  0.556686D+01 -0.957061D+01
      3  -0.126543D+01  0.547000D+01 -0.257806D+02  0.573565D+01 -0.728540D+01
      4  -0.409690D+01 -0.435950D+01 -0.118153D+02  0.110411D+02 -0.381273D+01
      5  -0.138423D+01 -0.215795D+01  0.197525D+02 -0.432382D+01  0.153476D+02
      6   0.122889D+02  0.240400D+02 -0.329807D+00  0.468463D+00 -0.771258D-01
               121           122           123           124           125 
      1  -0.217379D+02  0.852352D+01 -0.479802D+01  0.275575D+02 -0.404644D+01
      2   0.113545D+02 -0.219047D+01  0.217355D+01 -0.163836D+02  0.207910D+01
      3   0.103834D+02 -0.633305D+01  0.262447D+01 -0.111738D+02  0.196734D+01
      4   0.140629D+02 -0.692661D+01  0.530522D+01 -0.562551D+01  0.719373D+01
      5  -0.684549D+01  0.544253D+01 -0.813239D+01  0.202411D+02 -0.615681D+01
      6   0.144746D+01 -0.161665D+01  0.200379D+01 -0.108093D+01  0.230133D+01
               126           127           128           129           130 
      1   0.119089D+02  0.744613D+01 -0.306625D+01 -0.480230D+01 -0.711916D+01
      2  -0.106200D+02 -0.644366D+01  0.219497D+01  0.413457D+01  0.473791D+01
      3  -0.128892D+01 -0.100247D+01  0.871282D+00  0.667727D+00  0.238125D+01
      4  -0.555768D+01 -0.296081D+01  0.270612D+01  0.103582D+01  0.502641D+01
      5   0.133453D+02 -0.573928D+01  0.142356D+01  0.108323D+02  0.376532D+01
      6  -0.111025D+01  0.905896D+00  0.660723D-02  0.108982D+00 -0.191273D+01
               131           132           133           134           135 
      1   0.470880D+00 -0.320799D+00 -0.111311D+02 -0.101777D+01  0.127926D+01
      2  -0.446344D+00 -0.208294D+01  0.108163D+02 -0.107634D+01 -0.178166D+02
      3  -0.245357D-01  0.240374D+01  0.314766D+00  0.209411D+01  0.165374D+02
      4  -0.179578D+01 -0.608405D+01  0.127194D+01 -0.819054D+01 -0.656167D+01
      5  -0.551521D+01 -0.947374D+01  0.197467D+02 -0.626686D+01 -0.409665D+02
      6   0.260336D+01  0.467993D+01 -0.125857D+01  0.480490D+01  0.212361D+01
               136           137           138           139           140 
      1   0.346470D+01  0.453745D+01  0.205814D+01  0.140546D+02  0.225362D+01
      2   0.144598D+01  0.469389D+00 -0.119630D+01 -0.446379D+01  0.123870D+02
      3  -0.491068D+01 -0.500684D+01 -0.861840D+00 -0.959085D+01 -0.146406D+02
      4   0.637421D+01  0.120799D+02 -0.329033D+00  0.173141D+02  0.413869D+02
      5   0.183291D+01 -0.684727D+00  0.274651D+01 -0.121088D+01  0.135848D+01
      6  -0.339776D+00 -0.694252D+00  0.888594D+00  0.201489D+00 -0.959361D+00
               141           142           143           144           145 
      1  -0.827944D+00  0.356049D+01 -0.542886D+00  0.112816D+01 -0.816957D+01
      2   0.797633D+00 -0.159964D+01  0.370524D+00 -0.120863D+01  0.846020D+01
      3   0.303101D-01 -0.196085D+01  0.172362D+00  0.804663D-01 -0.290624D+00
      4   0.172575D+00  0.953978D-01  0.834489D+00  0.320847D+01  0.149216D+02
      5   0.578842D+01  0.550750D+01  0.377474D+01 -0.235554D+01 -0.274990D+01
      6   0.395491D+01  0.124724D+01  0.522509D+01  0.637856D+00 -0.929807D+01
               146           147           148           149           150 
      1  -0.127829D+02  0.613873D+01 -0.725053D+01 -0.881005D+01  0.407976D+01
      2   0.148900D+02 -0.374385D+01  0.888149D+01  0.123275D+02 -0.451559D+01
      3  -0.210708D+01 -0.239488D+01 -0.163096D+01 -0.351750D+01  0.435828D+00
      4   0.786840D+01 -0.632348D+01  0.906674D+01  0.499585D+01 -0.219076D+01
      5  -0.216300D+01  0.253284D+01 -0.122552D+01 -0.957072D+00 -0.384149D-01
      6  -0.674566D+01  0.794018D+01 -0.459208D+01 -0.602173D+01  0.673737D+01
               151           152           153           154           155 
      1   0.616630D+01  0.670507D+01 -0.755415D+01 -0.119039D+01 -0.205973D+01
      2  -0.295143D+01 -0.678191D+01  0.374277D+01  0.168303D+01  0.654104D+00
      3  -0.321487D+01  0.768425D-01  0.381138D+01 -0.492633D+00  0.140563D+01
      4  -0.709281D+01 -0.118463D+01  0.240378D+01 -0.188435D+01  0.573067D+01
      5   0.335750D+01 -0.522589D+00 -0.226297D+01 -0.125264D+01  0.673432D+00
      6   0.595401D+01  0.897245D+01 -0.605315D+01  0.160656D+01  0.823408D-01
               156           157           158           159           160 
      1  -0.137479D+01 -0.855883D+00 -0.656435D+01 -0.518790D+01 -0.212159D+01
      2   0.851764D+00 -0.255061D+00  0.897470D+01  0.702873D+01  0.961585D+00
      3   0.523026D+00  0.111094D+01 -0.241035D+01 -0.184082D+01  0.116001D+01
      4   0.188575D+01  0.444629D+01 -0.369652D+01 -0.240878D+01  0.448652D+01
      5   0.399107D+01 -0.256143D+00 -0.265524D+01 -0.304453D+01  0.441200D+01
      6  -0.481486D+00 -0.456441D-01  0.797049D+01  0.123000D+02 -0.131182D+01
               161           162           163           164           165 
      1  -0.102599D+02 -0.113788D+02  0.122512D+02 -0.177760D+01  0.278500D+01
      2   0.126329D+02  0.446124D+01  0.579387D+00 -0.934399D+01 -0.259715D+00
      3  -0.237297D+01  0.691754D+01 -0.128305D+02  0.111216D+02 -0.252529D+01
      4  -0.661993D+01 -0.619175D+01 -0.266272D+02  0.241244D+02 -0.113949D+02
      5  -0.614510D+01 -0.128131D+02  0.112040D+02 -0.743180D+01  0.924704D+01
      6   0.162437D+02  0.279806D+02 -0.108412D+02  0.874213D+01 -0.937556D+01
               166           167           168           169           170 
      1  -0.108683D+01 -0.354553D+01  0.186308D+01  0.352451D+01  0.298360D+01
      2  -0.717836D+01  0.140529D+02 -0.462261D+01 -0.750134D+00 -0.637429D+01
      3   0.826519D+01 -0.105074D+02  0.275952D+01 -0.277438D+01  0.339069D+01
      4   0.181055D+02 -0.192320D+02  0.767961D+01 -0.125866D+02  0.111789D+02
      5  -0.476295D+01  0.631985D+01 -0.471416D+01  0.949569D+01 -0.749169D+01
      6   0.656535D+01 -0.964258D+01  0.903209D+01 -0.826094D+01  0.118313D+02
               171 
      1  -0.190880D+01
      2   0.122836D+01
      3   0.680440D+00
      4  -0.101680D+02
      5   0.817491D+01
      6  -0.869856D+01
 Leave Link  716 at Sun Sep 26 19:58:50 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.912418D+02  0.317564D+01 -0.120641D+01
      2   0.317564D+01  0.832258D+02  0.190634D+01
      3  -0.120641D+01  0.190634D+01  0.732720D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.172947D+01 -0.679760D+00  0.152629D+01
      2   0.300362D+01 -0.518959D+01  0.235743D+02
      3   0.801091D+01 -0.369530D+02  0.599122D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.764960D+02 -0.218481D+02  0.676346D+01
      2  -0.333942D+02  0.159847D+02 -0.304984D+01
      3  -0.431018D+02  0.586343D+01 -0.371361D+01
      4  -0.268165D+02  0.600769D+02 -0.179640D+02
      5   0.581310D+01 -0.188187D+02  0.331971D+02
      6  -0.610612D+01 -0.251739D+01 -0.103706D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.885574D+00  0.492591D+01 -0.401743D+01  0.386795D+01 -0.111395D+01
      2   0.492591D+01 -0.153094D+01  0.552498D+00 -0.111395D+01 -0.362573D+01
      3  -0.401743D+01  0.552498D+00 -0.288777D+00  0.438340D+00 -0.301906D+00
                 6             7             8             9            10 
      1   0.438340D+00 -0.439057D+01  0.476008D+00 -0.465547D+00  0.373154D+00
      2  -0.301906D+00  0.476008D+00 -0.889290D+00  0.385740D+01 -0.470995D+01
      3   0.280178D+01 -0.465547D+00  0.385740D+01  0.468689D+01  0.242881D+01
                11            12            13            14            15 
      1  -0.470995D+01  0.242881D+01 -0.715368D+01  0.147721D+01 -0.337028D-01
      2   0.221414D+01 -0.107556D+00  0.147721D+01  0.479992D+01 -0.363717D+00
      3  -0.107556D+00  0.811059D+00 -0.337028D-01 -0.363717D+00 -0.257560D+01
                16            17            18            19            20 
      1   0.562940D+01  0.235189D-01  0.126639D+01 -0.340262D+00  0.664053D+01
      2   0.235189D-01  0.737136D+00 -0.298393D+01  0.664053D+01  0.225284D+00
      3   0.126639D+01 -0.298393D+01 -0.834696D+01 -0.521480D+00  0.313098D+00
                21            22            23            24            25 
      1  -0.521480D+00  0.457064D+01 -0.881574D+00  0.486479D+00 -0.514048D+01
      2   0.313098D+00 -0.881574D+00 -0.298302D+01  0.208525D+00 -0.643258D+00
      3  -0.724889D+00  0.486479D+00  0.208525D+00  0.154430D+01 -0.919046D+00
                26            27            28            29            30 
      1  -0.643258D+00 -0.919046D+00 -0.240523D+01 -0.294520D+01 -0.547427D+00
      2  -0.236704D+01  0.164877D+01 -0.294520D+01  0.104189D+01  0.766919D+00
      3   0.164877D+01  0.670350D+01 -0.547427D+00  0.766919D+00  0.185454D+01
                31            32            33            34            35 
      1  -0.277883D+01 -0.748892D+00  0.135296D+01 -0.394104D+01  0.415207D+00
      2  -0.748892D+00 -0.145485D+01  0.540658D+00  0.415207D+00 -0.120462D+00
      3   0.135296D+01  0.540658D+00 -0.236712D+00  0.308568D+01  0.192877D+00
                36            37            38            39            40 
      1   0.308568D+01  0.760298D+01  0.345088D+01 -0.153785D+01  0.312931D+01
      2   0.192877D+00  0.345088D+01  0.216798D+01 -0.101941D+00  0.173276D+01
      3  -0.400318D+01 -0.153785D+01 -0.101941D+00 -0.192925D+00 -0.611168D+00
                41            42            43            44            45 
      1   0.173276D+01 -0.611168D+00 -0.348941D+01 -0.150174D+01 -0.226841D+01
      2  -0.119860D+01 -0.174475D+01 -0.150174D+01 -0.282625D+01 -0.162117D+01
      3  -0.174475D+01 -0.568985D+00 -0.226841D+01 -0.162117D+01 -0.404817D+01
                46            47            48            49            50 
      1   0.699541D-01  0.353911D+01 -0.343493D+01  0.474272D+01 -0.202296D+01
      2   0.353911D+01 -0.760773D+00  0.315092D+00 -0.202296D+01 -0.594910D+01
      3  -0.343493D+01  0.315092D+00 -0.172084D+01  0.575027D+00 -0.346987D+00
                51            52            53            54            55 
      1   0.575027D+00 -0.608361D+01  0.207077D+00 -0.301633D+01  0.227464D+01
      2  -0.346987D+00  0.207077D+00 -0.662900D+00  0.248072D+01 -0.318142D+01
      3   0.278836D+01 -0.301633D+01  0.248072D+01  0.553352D+01  0.121033D+01
                56            57            58            59            60 
      1  -0.318142D+01  0.121033D+01 -0.156674D+01  0.255030D+01 -0.105597D+01
      2   0.282449D+01 -0.593961D+00  0.255030D+01  0.321686D+01  0.577035D+00
      3  -0.593961D+00  0.245861D+01 -0.105597D+01  0.577035D+00 -0.151746D+01
                61            62            63            64            65 
      1   0.192217D+01 -0.143946D+01  0.274112D+01 -0.471546D+01  0.754102D+00
      2  -0.143946D+01  0.767730D+00 -0.178165D+01  0.754102D+00 -0.190662D+01
      3   0.274112D+01 -0.178165D+01 -0.315555D+01  0.343149D+01 -0.689137D+00
                66            67            68            69            70 
      1   0.343149D+01  0.196712D+01 -0.113921D+01 -0.779174D+00  0.672846D+01
      2  -0.689137D+00 -0.113921D+01  0.228573D+01  0.185430D+01  0.435207D+00
      3  -0.270390D+01 -0.779174D+00  0.185430D+01  0.702323D+00 -0.375781D+01
                71            72            73            74            75 
      1   0.435207D+00 -0.375781D+01  0.636143D+00 -0.685589D+00 -0.105517D+01
      2   0.373659D+01  0.538107D+00 -0.685589D+00  0.321677D+00  0.490639D-02
      3   0.538107D+00  0.874714D+01 -0.105517D+01  0.490639D-02  0.981554D+00
                76            77            78            79            80 
      1  -0.922960D+00  0.227544D+00 -0.226644D-01 -0.118149D+01  0.217616D+00
      2   0.227544D+00  0.229541D+00 -0.102555D+01  0.217616D+00 -0.130405D+01
      3  -0.226644D-01 -0.102555D+01 -0.785657D+00  0.424457D+00 -0.234022D+00
                81            82            83            84            85 
      1   0.424457D+00 -0.464971D+00  0.944024D+00  0.679754D+00  0.118251D+01
      2  -0.234022D+00  0.944024D+00 -0.435945D+00 -0.879410D-02 -0.224513D+00
      3  -0.753552D+01  0.679754D+00 -0.879410D-02 -0.208419D+00  0.369408D-01
                86            87            88            89            90 
      1  -0.224513D+00  0.369408D-01  0.135101D+01 -0.501309D-01  0.249672D-01
      2   0.204370D+00  0.131833D+01 -0.501309D-01  0.200749D+01  0.132035D+01
      3   0.131833D+01  0.160377D+01  0.249672D-01  0.132035D+01  0.811023D+01
                91            92            93            94            95 
      1  -0.103696D+02 -0.494038D+01 -0.888726D+00 -0.365789D+01 -0.273070D+01
      2  -0.494038D+01 -0.356609D+01 -0.560108D+00 -0.273070D+01 -0.256584D+01
      3  -0.888726D+00 -0.560108D+00 -0.140963D+01 -0.246928D+00 -0.481050D+00
                96            97            98            99           100 
      1  -0.246928D+00  0.273548D+01  0.134932D+01 -0.840041D+00 -0.190720D+01
      2  -0.481050D+00  0.134932D+01  0.790979D+00 -0.432786D+00  0.277010D+01
      3  -0.677989D+00 -0.840041D+00 -0.432786D+00 -0.116636D+00 -0.132151D+01
               101           102           103           104           105 
      1   0.277010D+01 -0.132151D+01  0.240285D+01 -0.248175D+01  0.122038D+01
      2  -0.345412D+01  0.155801D+01 -0.248175D+01  0.518829D+01 -0.167700D+01
      3   0.155801D+01 -0.141716D+01  0.122038D+01 -0.167700D+01  0.144548D+01
               106           107           108           109           110 
      1  -0.242949D+01  0.195131D+01 -0.170982D+01 -0.188084D+00  0.809564D+00
      2   0.195131D+01 -0.361980D+01  0.222895D+01  0.809564D+00 -0.847204D+00
      3  -0.170982D+01  0.222895D+01 -0.229158D+01  0.272922D+00 -0.584866D+00
               111           112           113           114           115 
      1   0.272922D+00  0.766118D+00 -0.317186D+00 -0.570479D+00  0.154411D+01
      2  -0.584866D+00 -0.317186D+00  0.177326D+01  0.938421D+00 -0.465548D+00
      3  -0.884552D+00 -0.570479D+00  0.938421D+00  0.129297D+01 -0.100541D+01
               116           117           118           119           120 
      1  -0.465548D+00 -0.100541D+01  0.746000D+01 -0.179615D+01  0.243816D+01
      2   0.318312D+01  0.223586D+01 -0.179615D+01  0.126143D+01 -0.584615D+00
      3   0.223586D+01  0.506884D+01  0.243816D+01 -0.584615D+00  0.186029D+01
               121           122           123           124           125 
      1  -0.370833D+01  0.183265D+01 -0.792017D+00  0.498235D+01 -0.761555D+00
      2   0.183265D+01 -0.784962D+00  0.757812D+00 -0.761555D+00  0.107994D+01
      3  -0.792017D+00  0.757812D+00 -0.113089D+01  0.246458D+01 -0.902657D+00
               126           127           128           129           130 
      1   0.246458D+01  0.118382D+01 -0.460954D+00 -0.841837D+00 -0.133464D+01
      2  -0.902657D+00 -0.460954D+00  0.237762D+00  0.113889D+00  0.687330D+00
      3   0.163350D+01 -0.841837D+00  0.113889D+00  0.876038D+00  0.492153D+00
               131           132           133           134           135 
      1   0.687330D+00  0.492153D+00 -0.237717D+01  0.189391D+00  0.260156D+01
      2  -0.262416D+00 -0.105894D+01  0.189391D+00 -0.143272D+01 -0.100433D+01
      3  -0.105894D+01 -0.169957D+01  0.260156D+01 -0.100433D+01 -0.720276D+01
               136           137           138           139           140 
      1   0.536709D+00  0.126004D+01  0.321421D+00  0.291361D+01  0.214902D+01
      2   0.126004D+01  0.124285D+01 -0.474237D-01  0.214902D+01  0.793024D+01
      3   0.321421D+00 -0.474237D-01  0.337131D+00 -0.177934D+00 -0.417937D-01
               141           142           143           144           145 
      1  -0.177934D+00  0.629815D+00  0.351067D-01  0.761094D+00 -0.513643D+01
      2  -0.417937D-01  0.351067D-01  0.236882D+00  0.673307D+00 -0.218775D+01
      3   0.881955D+00  0.761094D+00  0.673307D+00 -0.423087D+00  0.180654D+01
               146           147           148           149           150 
      1  -0.218775D+01  0.180654D+01 -0.164874D+01 -0.154003D+01  0.616359D+00
      2  -0.294433D+01  0.961033D+00 -0.154003D+01 -0.193862D+01  0.880278D+00
      3   0.961033D+00 -0.142732D+01  0.616359D+00  0.880278D+00 -0.100058D+01
               151           152           153           154           155 
      1   0.214316D+01  0.792695D+00 -0.118877D+01 -0.414799D-01 -0.924442D+00
      2   0.792695D+00  0.164546D+01 -0.146481D+01 -0.924442D+00  0.233518D+00
      3  -0.118877D+01 -0.146481D+01  0.117229D+01 -0.452054D+00  0.172479D-01
               156           157           158           159           160 
      1  -0.452054D+00 -0.576759D+00  0.167907D+00 -0.192569D-01 -0.992098D+00
      2   0.172479D-01  0.167907D+00 -0.163571D+01 -0.139708D+01  0.143096D+00
      3   0.168095D+00 -0.192569D-01 -0.139708D+01 -0.159405D+01  0.235965D+00
               161           162           163           164           165 
      1   0.143096D+00  0.235965D+00  0.454574D+01 -0.326242D+01  0.202898D+01
      2  -0.323652D+01 -0.281417D+01 -0.326242D+01  0.367499D+01 -0.132429D+01
      3  -0.281417D+01 -0.609521D+01  0.202898D+01 -0.132429D+01  0.163112D+01
               166           167           168           169           170 
      1  -0.219427D+01  0.237606D+01 -0.909346D+00  0.235940D+01 -0.137386D+01
      2   0.237606D+01 -0.322936D+01  0.136343D+01 -0.137386D+01  0.227369D+01
      3  -0.909346D+00  0.136343D+01 -0.127345D+01  0.156535D+01 -0.193682D+01
               171 
      1   0.156535D+01
      2  -0.193682D+01
      3   0.156273D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.752034D+01  0.557988D+00 -0.108557D+00  0.319402D+00 -0.402080D+01
      2  -0.478150D+01 -0.903339D-01  0.218188D+01 -0.171763D+00  0.298514D+00
      3  -0.897813D+01 -0.133839D+02  0.846629D+01 -0.668081D+01  0.685283D+01
                 6             7             8             9            10 
      1   0.464967D+01 -0.935024D+00  0.118274D+02  0.104513D+02  0.107893D+00
      2   0.286528D+01 -0.129686D+01  0.408474D+01  0.519715D+01  0.374301D+01
      3  -0.692108D+00  0.920367D+01 -0.621744D+00 -0.394518D+01  0.683244D+01
                11            12            13            14            15 
      1   0.168760D+00  0.247938D+00 -0.888281D+00  0.254245D+01 -0.354904D+01
      2  -0.597243D-01  0.346428D+01 -0.137243D+01 -0.312494D+00 -0.331877D+01
      3  -0.389875D+01 -0.833513D+00  0.200613D+01 -0.757890D+01  0.604513D+00
                16            17            18            19            20 
      1   0.328673D+00  0.326753D+01 -0.289610D+01 -0.218565D+01 -0.195306D+01
      2  -0.292018D+01 -0.396949D+01 -0.104183D+02  0.302275D+01 -0.903327D+00
      3   0.203916D+01 -0.765741D+00  0.380770D+01  0.513377D+00 -0.271519D+01
                21            22            23            24            25 
      1  -0.305694D+00  0.271994D+00  0.490539D+01 -0.973367D+00  0.945790D+00
      2   0.198116D+01 -0.753894D-01 -0.310330D+01  0.114475D+01 -0.878260D+01
      3   0.110347D+01  0.234806D+00 -0.364993D+01  0.156953D+01 -0.377080D+01
                26            27            28            29            30 
      1   0.450161D+01 -0.394047D+01  0.426000D+00  0.228029D+01  0.296179D+01
      2  -0.527593D+00  0.434362D+00 -0.685238D+01  0.399654D+00 -0.294062D+01
      3   0.146972D+01 -0.439978D+00 -0.102457D+02  0.486611D+01 -0.134854D+01
                31            32            33            34            35 
      1  -0.271485D+00 -0.623031D+01 -0.619007D+01  0.228550D+01 -0.266779D+01
      2   0.372107D+01  0.209933D+01 -0.206121D+01 -0.324102D+01 -0.917621D+00
      3   0.165888D+02  0.110288D+02 -0.223120D+01 -0.948177D+01 -0.937621D+01
                36            37            38            39            40 
      1   0.492567D+01 -0.261845D+01  0.721105D+00 -0.804929D+00 -0.102524D+01
      2   0.994561D+01  0.694147D+01  0.227675D+01  0.148249D+01 -0.616222D+00
      3  -0.160430D+01  0.303401D+01 -0.128020D+00  0.936846D+00  0.275204D+01
                41            42            43            44            45 
      1   0.197063D+01 -0.216265D+01  0.272745D+01  0.609639D+01 -0.275173D+01
      2   0.348840D+01  0.114921D+01 -0.535231D+01  0.677195D+00  0.779010D+01
      3  -0.478650D+01 -0.244781D+01  0.329963D+01 -0.124406D+01 -0.170664D+01
                46            47            48            49            50 
      1   0.505832D+00  0.685372D+00  0.245533D-01  0.170856D+01  0.240449D+01
      2  -0.108927D+02  0.153222D+01 -0.475681D+01  0.284760D+01 -0.150320D+01
      3  -0.898097D+01  0.185815D+01 -0.204623D+01  0.116130D+02  0.195187D+02
                51            52            53            54            55 
      1  -0.274069D+01  0.115298D+01  0.897508D+00 -0.228240D+01 -0.113126D+01
      2   0.768489D+01 -0.138070D+02  0.692566D+01  0.150223D+02  0.171773D+01
      3   0.459367D+00 -0.416909D+01  0.154092D+01 -0.841357D+01  0.787843D+01
                56            57            58            59            60 
      1   0.371473D+01 -0.792900D+01  0.237395D+01 -0.436965D+01 -0.645988D+00
      2   0.556730D+00  0.445377D+01  0.543998D+00  0.197507D+01  0.400027D+00
      3  -0.130459D+02  0.282272D+01  0.194522D+01  0.781718D+01 -0.254516D+01
                61            62            63            64            65 
      1  -0.775518D+01  0.955839D+01  0.761565D+01  0.131432D-01 -0.406159D+01
      2  -0.229830D+00  0.406915D+00 -0.102814D+01  0.634107D+00  0.188164D+01
      3   0.377890D+01 -0.322663D+01  0.834154D+01  0.195196D+01 -0.781154D+01
                66            67            68            69            70 
      1  -0.287030D+00 -0.718719D+00  0.103102D+01 -0.911798D+00 -0.147135D+01
      2   0.863370D+01  0.429075D+00 -0.438704D+01 -0.888182D+00 -0.320396D+01
      3  -0.689786D+00 -0.290399D+01 -0.198327D+00  0.435575D+01  0.512502D+01
                71            72            73            74            75 
      1   0.688252D+01 -0.633116D+00  0.833363D+00 -0.550262D+00 -0.182211D-01
      2  -0.194696D+01 -0.164495D+02  0.764517D+00 -0.187451D+00  0.544955D+00
      3   0.840574D+01  0.221498D+01  0.661115D-01 -0.960603D+00 -0.687989D+00
                76            77            78            79            80 
      1  -0.102072D+00  0.586487D+00 -0.139111D+00 -0.381057D+00  0.391592D+01
      2  -0.701677D+00  0.212866D+00 -0.371327D+00 -0.378880D+01  0.141508D+00
      3   0.153090D+01  0.346552D-01 -0.116433D+00  0.228511D+00  0.354647D+00
                81            82            83            84            85 
      1   0.396832D+01  0.115721D+01 -0.649645D+00 -0.734477D-02 -0.261943D+00
      2   0.281238D+00  0.165760D+01 -0.605037D+00  0.250136D+00 -0.146714D+01
      3  -0.431629D+00 -0.129406D+01 -0.744716D+00 -0.705333D-01  0.142158D+01
                86            87            88            89            90 
      1   0.102612D+01 -0.350159D+00 -0.540088D+00  0.441740D+01  0.207040D+01
      2   0.205783D+01  0.196084D+01 -0.414811D+01  0.219106D+01  0.994338D+01
      3  -0.383617D+00 -0.139794D+01  0.270426D+00 -0.217870D+01 -0.151055D+01
                91            92            93            94            95 
      1   0.358841D+01  0.222237D+01 -0.149444D+01  0.210924D+01  0.171006D+01
      2  -0.598122D+01 -0.277891D+01  0.402190D+01 -0.316786D+01 -0.171535D+01
      3  -0.129882D+00 -0.501800D+01 -0.855272D+00 -0.148511D+01 -0.380450D+01
                96            97            98            99           100 
      1  -0.561766D+00 -0.106133D+01 -0.187326D+00  0.800219D+00  0.269240D+01
      2   0.177541D+01  0.223070D+01  0.108579D+01 -0.165224D+01 -0.209520D+01
      3  -0.900553D-02  0.875739D+00  0.171402D+01 -0.302609D+00 -0.640770D+01
               101           102           103           104           105 
      1  -0.287839D+01  0.441605D+01 -0.280506D+01  0.245534D+01 -0.401488D+01
      2   0.396163D+00  0.674425D+00  0.988248D+00 -0.442827D+00 -0.311915D+00
      3   0.506619D+01 -0.349683D+01  0.825936D+01 -0.620534D+01  0.341294D+01
               106           107           108           109           110 
      1   0.390448D+01 -0.312914D+01  0.479703D+01 -0.103019D+01  0.832593D+00
      2  -0.190829D+01  0.403942D+00  0.476800D-01  0.749378D+00 -0.529655D-02
      3  -0.722980D+01  0.493758D+01 -0.475483D+01 -0.115623D+01  0.387161D+00
               111           112           113           114           115 
      1   0.335094D+01  0.112509D+01 -0.316310D+01 -0.367888D+01  0.332803D+01
      2  -0.437393D+00  0.216881D+00  0.289910D+00 -0.192741D+00 -0.291898D+01
      3   0.695536D+00  0.177505D+01 -0.158519D+01 -0.160898D+01  0.455424D+01
               116           117           118           119           120 
      1  -0.389298D+01 -0.133895D+02 -0.313897D+00  0.479778D+00  0.353111D+00
      2   0.268803D+00  0.960272D+00  0.745535D+01 -0.215002D+01  0.817320D+01
      3  -0.170296D+01 -0.380149D+01  0.628690D+01 -0.684257D+01  0.270203D+01
               121           122           123           124           125 
      1  -0.232214D+00 -0.541661D+00 -0.706900D+00 -0.131342D+00  0.152393D+01
      2  -0.242045D+01  0.238183D+01 -0.462078D+01  0.617078D+01 -0.300292D+01
      3  -0.457228D+01  0.361671D+01 -0.225208D+01  0.327685D+01 -0.449011D+01
               126           127           128           129           130 
      1   0.146007D+00  0.473460D+00 -0.295841D+00 -0.527657D+00  0.288410D-01
      2   0.576101D+01 -0.237415D+01  0.162689D+00  0.385136D+01  0.359861D+00
      3   0.336472D+01  0.164628D+01 -0.175988D+01 -0.753715D+00 -0.102491D+01
               131           132           133           134           135 
      1   0.962074D+00 -0.214926D+00 -0.655998D+00  0.374349D+01  0.210631D+01
      2  -0.271123D+01 -0.485412D+01  0.342211D+01 -0.312803D+01 -0.204669D+02
      3   0.990130D+00  0.256308D+01 -0.589758D+00  0.492519D+01  0.418676D+01
               136           137           138           139           140 
      1  -0.411190D+00 -0.414525D+00 -0.601923D+00 -0.209679D+00 -0.184358D+01
      2   0.101233D+01 -0.783006D-01  0.135769D+01 -0.800849D-01  0.341141D+00
      3  -0.377571D+01 -0.257176D+01  0.333698D+00  0.161225D+00 -0.245840D+02
               141           142           143           144           145 
      1  -0.262163D+01 -0.676343D+00  0.654166D+00  0.241435D+00  0.317295D+01
      2   0.330506D+01  0.546822D+00  0.172111D+01 -0.120981D+01  0.487949D+01
      3  -0.481106D-01  0.443327D+00 -0.578063D+00 -0.984776D+00  0.165805D+02
               146           147           148           149           150 
      1  -0.464444D-01 -0.376438D+01  0.479687D+00  0.964612D+00 -0.271956D+01
      2   0.122375D+01 -0.157410D+00  0.127952D+01  0.145604D+01 -0.295977D+00
      3   0.485005D+01 -0.502768D+01  0.699303D+01  0.412967D+01 -0.234321D+01
               151           152           153           154           155 
      1  -0.262845D+01 -0.891068D+00  0.180521D+01 -0.105749D+01 -0.839751D-01
      2  -0.352777D+01 -0.133366D+01  0.840317D+00 -0.513101D+00  0.178851D+00
      3  -0.626320D+01 -0.229903D+01  0.391547D+01  0.156344D+01  0.562694D+00
               156           157           158           159           160 
      1   0.142200D+00 -0.678792D-02 -0.285922D+01 -0.545017D+01  0.408166D+00
      2   0.772442D+00 -0.373064D+00 -0.124142D+01 -0.141366D+01 -0.251183D+01
      3   0.659030D+00  0.242337D+01  0.116877D+01  0.138871D+01  0.300244D+01
               161           162           163           164           165 
      1  -0.336021D+01 -0.148194D+02  0.329780D+01 -0.729252D+00  0.435259D+01
      2  -0.280510D+01 -0.628576D+01  0.310688D+00 -0.797732D+00  0.308610D+01
      3   0.355821D+01  0.290392D+01 -0.697313D+01 -0.322728D+00 -0.286087D+01
               166           167           168           169           170 
      1  -0.129341D+01  0.151733D+01 -0.365537D+01  0.274312D+01 -0.154455D+01
      2   0.598362D-01  0.815909D+00 -0.195679D+01 -0.352423D+00 -0.186440D+01
      3   0.458219D+01 -0.792164D+00  0.736959D+00 -0.459348D+01 -0.422778D+00
               171 
      1   0.273662D+01
      2   0.188839D+01
      3  -0.839522D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.110712D+02  0.105129D+02 -0.859511D+01  0.586427D+01 -0.129286D+02
      2  -0.148389D+02 -0.249075D+01  0.372681D+01  0.250340D+00  0.185522D+02
      3   0.376770D+01 -0.802217D+01  0.486831D+01 -0.611461D+01 -0.562356D+01
      4   0.823761D+01 -0.201879D+02  0.158448D+02 -0.179552D+02 -0.712042D+00
      5  -0.797151D+01  0.816758D+01 -0.520347D+01  0.561160D+01 -0.193743D+01
      6   0.197117D+02 -0.255683D+01  0.121564D+01 -0.239655D+01  0.371651D+01
                 6             7             8             9            10 
      1   0.104614D+01 -0.934079D+01  0.181097D+01  0.769379D+01 -0.150932D+02
      2   0.103322D+01  0.276470D+01  0.128939D+01 -0.110947D+02  0.110088D+02
      3  -0.207936D+01  0.657610D+01 -0.310035D+01  0.340088D+01  0.408441D+01
      4  -0.262903D+01  0.146198D+02 -0.478785D+01  0.937708D+01 -0.113808D+02
      5   0.657301D+01 -0.613573D+01  0.898714D+01  0.100513D+02  0.102470D+02
      6  -0.125543D+02  0.240726D+01 -0.179848D+02 -0.175432D+02 -0.376367D+01
                11            12            13            14            15 
      1  -0.122025D+02  0.773328D+01 -0.146517D+02  0.149412D+02  0.227772D+01
      2   0.617994D+01 -0.591269D+01  0.845338D+01 -0.148759D+02  0.703491D+00
      3   0.602261D+01 -0.182059D+01  0.619835D+01 -0.653048D-01 -0.298121D+01
      4   0.769308D+01 -0.116870D+01  0.985139D+01  0.865792D+01  0.557086D-01
      5  -0.388981D+00  0.103716D+01 -0.351829D+00  0.422873D+00 -0.772557D+01
      6   0.810252D+00 -0.103949D+01  0.148676D+01 -0.387639D+00 -0.114745D+00
                16            17            18            19            20 
      1   0.133191D+02  0.109889D+01  0.690634D+01 -0.196170D+02 -0.945464D+01
      2  -0.622699D+01  0.364980D+01  0.635517D+01  0.158834D+02  0.899700D+01
      3  -0.709211D+01 -0.474869D+01 -0.132615D+02  0.373361D+01  0.457639D+00
      4  -0.248518D+01 -0.906185D+00 -0.761969D+01 -0.552972D+01 -0.116826D+01
      5   0.875827D+01 -0.740209D+01 -0.205676D+02 -0.504643D+01 -0.158557D+01
      6  -0.135935D+01  0.629580D+01 -0.155291D+01 -0.626414D+00 -0.259038D+01
                21            22            23            24            25 
      1  -0.189448D+01  0.354900D+01  0.640246D+01  0.830738D+00 -0.341412D+01
      2  -0.250642D+00 -0.604011D+01 -0.193802D+02  0.260867D+01 -0.165238D+01
      3   0.214512D+01  0.249111D+01  0.129777D+02 -0.343940D+01  0.506650D+01
      4  -0.286755D+00 -0.166680D+02 -0.784007D+01 -0.524718D+00  0.567268D+01
      5   0.951982D+00  0.252778D+00 -0.119059D+01  0.149856D+01  0.130535D+01
      6   0.302404D-01  0.306634D+00  0.665297D+00 -0.242927D+01  0.214515D+01
                26            27            28            29            30 
      1   0.633574D+01  0.559944D+01  0.811355D+01  0.827195D+01 -0.312970D+00
      2  -0.426196D+01  0.990598D+01  0.318030D+01 -0.166861D+01 -0.512157D+01
      3  -0.207378D+01 -0.155054D+02 -0.112938D+02 -0.660334D+01  0.543454D+01
      4  -0.128043D+01  0.151987D+01  0.116293D+02  0.165607D+01 -0.614065D+01
      5   0.251917D+01  0.288677D+01  0.681478D+01 -0.394210D+01 -0.173825D+02
      6   0.406195D+01  0.623214D+01 -0.258204D+01  0.593342D+00 -0.331479D+01
                31            32            33            34            35 
      1   0.147595D+02  0.441159D+01 -0.280218D+01  0.149178D+02  0.141940D+01
      2  -0.637160D+01 -0.214285D+00  0.513302D+01 -0.872403D+01 -0.706773D+01
      3  -0.838785D+01 -0.419731D+01 -0.233084D+01 -0.619378D+01  0.564834D+01
      4   0.856917D+01 -0.139974D+01 -0.168800D+01 -0.103031D+02  0.423825D+01
      5  -0.119894D+02 -0.522624D+00 -0.588299D+01 -0.252420D+02 -0.327619D+01
      6  -0.191765D+01 -0.743557D+01  0.844457D+00 -0.401972D+01 -0.764407D+01
                36            37            38            39            40 
      1  -0.676357D+01 -0.272057D+02 -0.149660D+02  0.623130D+01 -0.192810D+02
      2   0.116250D+02  0.674512D+01  0.526247D+01 -0.464312D+01  0.755334D+01
      3  -0.486140D+01  0.204606D+02  0.970351D+01 -0.158818D+01  0.117276D+02
      4  -0.336907D+00 -0.212562D+02 -0.860342D+01  0.297937D+01 -0.346698D+01
      5   0.158141D+02  0.579435D+01 -0.114201D+00  0.101955D+02  0.396784D+01
      6  -0.318938D+01  0.132240D+01  0.194019D+01  0.170184D+01  0.284829D+01
                41            42            43            44            45 
      1  -0.155854D+02 -0.309074D+01  0.121226D+02  0.767478D+00 -0.278982D+01
      2   0.140164D+02  0.159958D+01 -0.977514D+01 -0.262577D+00 -0.944814D+01
      3   0.156899D+01  0.149116D+01 -0.234749D+01 -0.504901D+00  0.122380D+02
      4   0.532066D+01  0.778260D+01  0.110327D+02  0.941775D+01  0.566725D+01
      5   0.695129D+01  0.590099D+01  0.191283D+02  0.884168D+01  0.223712D+02
      6   0.756534D+01  0.833759D+01  0.507874D+01  0.113724D+02  0.908738D+01
                46            47            48            49            50 
      1   0.418746D+00  0.214137D+02 -0.217138D+02  0.246620D+02 -0.904380D+01
      2  -0.141847D+01 -0.133225D+02  0.108497D+02 -0.167083D+02 -0.158672D+00
      3   0.999727D+00 -0.809117D+01  0.108641D+02 -0.795371D+01  0.920247D+01
      4   0.217834D+02 -0.539177D+01  0.222516D+01 -0.116759D+02 -0.279753D+02
      5  -0.244671D+02  0.277834D+01 -0.106546D+02  0.383457D+01 -0.437379D+01
      6   0.281061D+00  0.164701D+00  0.981802D+00 -0.941918D+00 -0.646385D+00
                51            52            53            54            55 
      1   0.569225D+01 -0.292682D+02  0.417118D+01 -0.947612D+01  0.195013D+02
      2  -0.778162D+00  0.127730D+02 -0.108195D+00  0.138558D+02 -0.168048D+02
      3  -0.491408D+01  0.164952D+02 -0.406299D+01 -0.437968D+01 -0.269656D+01
      4  -0.239410D+01  0.400401D+01 -0.925699D+00  0.135306D+02  0.805375D+01
      5   0.158735D+02 -0.196480D+02  0.142717D+02  0.280646D+02 -0.609484D+00
      6   0.940051D+00  0.190373D+01 -0.165623D+01 -0.149925D+01  0.705944D+01
                56            57            58            59            60 
      1  -0.566958D+01  0.746214D+00 -0.620229D+01 -0.133330D+02 -0.455006D+00
      2   0.961585D+01 -0.143744D+01  0.141940D+02  0.283946D+02  0.237222D+01
      3  -0.394627D+01  0.691225D+00 -0.799168D+01 -0.150616D+02 -0.191721D+01
      4  -0.686990D+01  0.549326D+01  0.560207D+01  0.189923D+02 -0.311634D+01
      5   0.276933D+01  0.116268D+01  0.277158D+01 -0.178009D+01  0.253224D+01
      6  -0.459689D+01  0.135768D+02 -0.540723D+01  0.477284D+01 -0.143904D+01
                61            62            63            64            65 
      1   0.389686D+01  0.148703D+01  0.485598D+01  0.250574D+02 -0.130408D+01
      2  -0.330091D+01  0.252623D+01 -0.682919D+01 -0.196931D+02 -0.225744D+01
      3  -0.595954D+00 -0.401327D+01  0.197321D+01 -0.536432D+01  0.356152D+01
      4   0.583182D+01 -0.295561D+01  0.121581D+02 -0.863775D+01  0.956507D+01
      5   0.338323D+01  0.451152D+01 -0.180138D+01 -0.213571D+02  0.463118D+01
      6   0.148973D+02 -0.547706D+01 -0.133652D+02  0.145782D+01 -0.349577D+01
                66            67            68            69            70 
      1  -0.926820D+01 -0.797503D+01 -0.203786D+01  0.129195D+01 -0.161688D+02
      2   0.122362D+02  0.566934D+01  0.435753D+01 -0.150625D+01  0.172737D+02
      3  -0.296796D+01  0.230569D+01 -0.231968D+01  0.214294D+00 -0.110485D+01
      4   0.561295D+01  0.991545D+01 -0.536709D+01 -0.828563D+01  0.514297D+01
      5   0.231550D+02  0.514708D+01 -0.950606D+01 -0.209416D+01  0.284541D+02
      6  -0.291004D+00 -0.335594D+01  0.244541D+01  0.811979D+01 -0.143103D+01
                71            72            73            74            75 
      1  -0.468222D+01 -0.196899D+01  0.121667D+01  0.411963D+00  0.113202D+01
      2   0.733283D+01 -0.221123D+02 -0.405511D+01 -0.923102D-01  0.103180D+01
      3  -0.265061D+01  0.240813D+02  0.283844D+01 -0.319653D+00 -0.216382D+01
      4  -0.921601D+01 -0.664493D+01  0.528504D+00  0.186832D+01 -0.570325D+00
      5  -0.300144D+01 -0.399871D+02 -0.132933D+01  0.231979D+00  0.587715D+01
      6   0.912322D+01  0.612038D+00 -0.979017D+00 -0.798014D+00  0.470498D+00
                76            77            78            79            80 
      1   0.430946D+00 -0.408737D+01 -0.919720D+00 -0.648512D-01  0.709483D+00
      2   0.932173D-01  0.147436D+01 -0.189424D+01  0.184268D+01 -0.278540D+01
      3  -0.524163D+00  0.261301D+01  0.281396D+01 -0.177782D+01  0.207591D+01
      4   0.188041D+01 -0.359241D+00 -0.360995D+00 -0.105241D+01 -0.120527D+00
      5   0.120483D+00 -0.770029D+00 -0.902884D+00  0.385805D+01 -0.595108D-01
      6  -0.284100D+00  0.438767D+00  0.541432D+01  0.563372D-01  0.357807D+01
                81            82            83            84            85 
      1  -0.160821D+02  0.245964D+01  0.218080D+01  0.214900D+01  0.292833D+01
      2  -0.148243D+02 -0.451362D+01 -0.891005D+00 -0.418424D+00 -0.188598D+01
      3   0.309064D+02  0.205397D+01 -0.128980D+01 -0.173057D+01 -0.104235D+01
      4   0.413925D+00  0.236172D+01  0.819919D+00  0.588288D+00  0.122274D+01
      5  -0.208085D+01  0.842936D+00  0.689833D+00  0.569725D+01  0.227959D+00
      6  -0.614562D+01  0.824558D+00 -0.270780D+00 -0.415704D+00  0.192752D+00
                86            87            88            89            90 
      1  -0.541986D+01 -0.267433D+01  0.378023D+01 -0.148942D+01 -0.160575D+02
      2   0.190718D+01 -0.122887D+01 -0.237308D+01 -0.342866D+01 -0.149619D+02
      3   0.351268D+01  0.390320D+01 -0.140715D+01  0.491809D+01  0.310194D+02
      4   0.553654D+00  0.284227D+01  0.673543D+00  0.372189D+01  0.376698D+01
      5   0.317873D+01  0.389984D+01  0.326830D+01  0.334303D+01  0.186662D+02
      6   0.318513D+01  0.746941D+01  0.287912D+00  0.407699D+01  0.284875D+01
                91            92            93            94            95 
      1   0.517323D+02  0.208232D+02  0.219076D+01  0.118798D+02  0.837164D+01
      2  -0.228866D+02 -0.750622D+01 -0.226756D+01 -0.202491D+01  0.647538D+00
      3  -0.288458D+02 -0.133170D+02  0.768001D-01 -0.985490D+01 -0.901918D+01
      4   0.309627D+02  0.196410D+02  0.258365D+01  0.183643D+02  0.150387D+02
      5   0.103618D+02  0.508690D+01  0.718700D+01  0.325312D+01  0.327293D+01
      6   0.264424D+01  0.245805D+01  0.206490D+01  0.204526D+01  0.172882D+01
                96            97            98            99           100 
      1   0.104463D+01 -0.129118D+02 -0.563260D+01  0.296129D+01 -0.315256D+01
      2  -0.103525D+01  0.400753D+01  0.754502D+00 -0.135605D+01  0.799135D+01
      3  -0.938819D-02  0.890422D+01  0.487810D+01 -0.160523D+01 -0.483878D+01
      4   0.130121D+01 -0.900848D+01 -0.576146D+01  0.328937D+01 -0.105925D+02
      5   0.315208D+01  0.528152D+01  0.249977D+01  0.161122D+00  0.362137D+01
      6   0.221683D+01  0.268868D+01  0.212330D+01 -0.347949D+00 -0.787412D+01
               101           102           103           104           105 
      1   0.813363D+01 -0.334713D+01  0.524833D+01 -0.136950D+02  0.468927D+01
      2  -0.145370D+02  0.517482D+01 -0.105448D+02  0.230104D+02 -0.738912D+01
      3   0.640332D+01 -0.182769D+01  0.529649D+01 -0.931533D+01  0.269985D+01
      4   0.156369D+02 -0.725614D+01  0.133519D+02 -0.139194D+02  0.622863D+01
      5  -0.416487D+01  0.450773D+01 -0.242375D+01  0.364877D+01 -0.215321D+01
      6   0.100826D+02 -0.896637D+01  0.781488D+01 -0.114110D+02  0.936790D+01
               106           107           108           109           110 
      1  -0.455634D+01  0.896368D+01 -0.713132D+01 -0.212748D+01  0.253443D+01
      2   0.559535D+01 -0.110767D+02  0.564954D+01  0.254698D+01 -0.383790D+01
      3  -0.103900D+01  0.211299D+01  0.148178D+01 -0.419497D+00  0.130347D+01
      4  -0.953305D+01  0.946078D+01 -0.789532D+01 -0.992426D+00  0.501607D+01
      5   0.454212D+01 -0.386658D+01  0.425103D+01 -0.115527D+01  0.253269D+00
      6  -0.942759D+01  0.136885D+02 -0.121505D+02  0.820474D+00 -0.360012D+01
               111           112           113           114           115 
      1   0.167976D+01  0.666391D+00 -0.580781D+01 -0.300979D+01  0.936437D+00
      2  -0.237942D+01 -0.148034D+01  0.813111D+01  0.414471D+01 -0.149319D+01
      3   0.699660D+00  0.813951D+00 -0.232330D+01 -0.113492D+01  0.556753D+00
      4   0.940048D+00  0.422835D+01 -0.254651D+01 -0.289185D+01  0.485573D+01
      5   0.204365D+01  0.113631D+00 -0.138734D+01 -0.105653D+01  0.152782D+01
      6  -0.501796D+01 -0.326145D+01  0.493533D+01  0.839089D+01 -0.534075D+01
               116           117           118           119           120 
      1  -0.100522D+02 -0.100701D+02  0.554786D+02 -0.113025D+02  0.168560D+02
      2   0.113176D+02  0.460007D+01 -0.296981D+02  0.556686D+01 -0.957061D+01
      3  -0.126543D+01  0.547000D+01 -0.257806D+02  0.573565D+01 -0.728540D+01
      4  -0.409690D+01 -0.435950D+01 -0.118153D+02  0.110411D+02 -0.381273D+01
      5  -0.138423D+01 -0.215795D+01  0.197525D+02 -0.432382D+01  0.153476D+02
      6   0.122889D+02  0.240400D+02 -0.329807D+00  0.468463D+00 -0.771258D-01
               121           122           123           124           125 
      1  -0.217379D+02  0.852352D+01 -0.479802D+01  0.275575D+02 -0.404644D+01
      2   0.113545D+02 -0.219047D+01  0.217355D+01 -0.163836D+02  0.207910D+01
      3   0.103834D+02 -0.633305D+01  0.262447D+01 -0.111738D+02  0.196734D+01
      4   0.140629D+02 -0.692661D+01  0.530522D+01 -0.562551D+01  0.719373D+01
      5  -0.684549D+01  0.544253D+01 -0.813239D+01  0.202411D+02 -0.615681D+01
      6   0.144746D+01 -0.161665D+01  0.200379D+01 -0.108093D+01  0.230133D+01
               126           127           128           129           130 
      1   0.119089D+02  0.744613D+01 -0.306625D+01 -0.480230D+01 -0.711916D+01
      2  -0.106200D+02 -0.644366D+01  0.219497D+01  0.413457D+01  0.473791D+01
      3  -0.128892D+01 -0.100247D+01  0.871282D+00  0.667727D+00  0.238125D+01
      4  -0.555768D+01 -0.296081D+01  0.270612D+01  0.103582D+01  0.502641D+01
      5   0.133453D+02 -0.573928D+01  0.142356D+01  0.108323D+02  0.376532D+01
      6  -0.111025D+01  0.905896D+00  0.660723D-02  0.108982D+00 -0.191273D+01
               131           132           133           134           135 
      1   0.470880D+00 -0.320799D+00 -0.111311D+02 -0.101777D+01  0.127926D+01
      2  -0.446344D+00 -0.208294D+01  0.108163D+02 -0.107634D+01 -0.178166D+02
      3  -0.245357D-01  0.240374D+01  0.314766D+00  0.209411D+01  0.165374D+02
      4  -0.179578D+01 -0.608405D+01  0.127194D+01 -0.819054D+01 -0.656167D+01
      5  -0.551521D+01 -0.947374D+01  0.197467D+02 -0.626686D+01 -0.409665D+02
      6   0.260336D+01  0.467993D+01 -0.125857D+01  0.480490D+01  0.212361D+01
               136           137           138           139           140 
      1   0.346470D+01  0.453745D+01  0.205814D+01  0.140546D+02  0.225362D+01
      2   0.144598D+01  0.469389D+00 -0.119630D+01 -0.446379D+01  0.123870D+02
      3  -0.491068D+01 -0.500684D+01 -0.861840D+00 -0.959085D+01 -0.146406D+02
      4   0.637421D+01  0.120799D+02 -0.329033D+00  0.173141D+02  0.413869D+02
      5   0.183291D+01 -0.684727D+00  0.274651D+01 -0.121088D+01  0.135848D+01
      6  -0.339776D+00 -0.694252D+00  0.888594D+00  0.201489D+00 -0.959361D+00
               141           142           143           144           145 
      1  -0.827944D+00  0.356049D+01 -0.542886D+00  0.112816D+01 -0.816957D+01
      2   0.797633D+00 -0.159964D+01  0.370524D+00 -0.120863D+01  0.846020D+01
      3   0.303101D-01 -0.196085D+01  0.172362D+00  0.804663D-01 -0.290624D+00
      4   0.172575D+00  0.953978D-01  0.834489D+00  0.320847D+01  0.149216D+02
      5   0.578842D+01  0.550750D+01  0.377474D+01 -0.235554D+01 -0.274990D+01
      6   0.395491D+01  0.124724D+01  0.522509D+01  0.637856D+00 -0.929807D+01
               146           147           148           149           150 
      1  -0.127829D+02  0.613873D+01 -0.725053D+01 -0.881005D+01  0.407976D+01
      2   0.148900D+02 -0.374385D+01  0.888149D+01  0.123275D+02 -0.451559D+01
      3  -0.210708D+01 -0.239488D+01 -0.163096D+01 -0.351750D+01  0.435828D+00
      4   0.786840D+01 -0.632348D+01  0.906674D+01  0.499585D+01 -0.219076D+01
      5  -0.216300D+01  0.253284D+01 -0.122552D+01 -0.957072D+00 -0.384149D-01
      6  -0.674566D+01  0.794018D+01 -0.459208D+01 -0.602173D+01  0.673737D+01
               151           152           153           154           155 
      1   0.616630D+01  0.670507D+01 -0.755415D+01 -0.119039D+01 -0.205973D+01
      2  -0.295143D+01 -0.678191D+01  0.374277D+01  0.168303D+01  0.654104D+00
      3  -0.321487D+01  0.768425D-01  0.381138D+01 -0.492633D+00  0.140563D+01
      4  -0.709281D+01 -0.118463D+01  0.240378D+01 -0.188435D+01  0.573067D+01
      5   0.335750D+01 -0.522589D+00 -0.226297D+01 -0.125264D+01  0.673432D+00
      6   0.595401D+01  0.897245D+01 -0.605315D+01  0.160656D+01  0.823408D-01
               156           157           158           159           160 
      1  -0.137479D+01 -0.855883D+00 -0.656435D+01 -0.518790D+01 -0.212159D+01
      2   0.851764D+00 -0.255061D+00  0.897470D+01  0.702873D+01  0.961585D+00
      3   0.523026D+00  0.111094D+01 -0.241035D+01 -0.184082D+01  0.116001D+01
      4   0.188575D+01  0.444629D+01 -0.369652D+01 -0.240878D+01  0.448652D+01
      5   0.399107D+01 -0.256143D+00 -0.265524D+01 -0.304453D+01  0.441200D+01
      6  -0.481486D+00 -0.456441D-01  0.797049D+01  0.123000D+02 -0.131182D+01
               161           162           163           164           165 
      1  -0.102599D+02 -0.113788D+02  0.122512D+02 -0.177760D+01  0.278500D+01
      2   0.126329D+02  0.446124D+01  0.579387D+00 -0.934399D+01 -0.259715D+00
      3  -0.237297D+01  0.691754D+01 -0.128305D+02  0.111216D+02 -0.252529D+01
      4  -0.661993D+01 -0.619175D+01 -0.266272D+02  0.241244D+02 -0.113949D+02
      5  -0.614510D+01 -0.128131D+02  0.112040D+02 -0.743180D+01  0.924704D+01
      6   0.162437D+02  0.279806D+02 -0.108412D+02  0.874213D+01 -0.937556D+01
               166           167           168           169           170 
      1  -0.108683D+01 -0.354553D+01  0.186308D+01  0.352451D+01  0.298360D+01
      2  -0.717836D+01  0.140529D+02 -0.462261D+01 -0.750134D+00 -0.637429D+01
      3   0.826519D+01 -0.105074D+02  0.275952D+01 -0.277438D+01  0.339069D+01
      4   0.181055D+02 -0.192320D+02  0.767961D+01 -0.125866D+02  0.111789D+02
      5  -0.476295D+01  0.631985D+01 -0.471416D+01  0.949569D+01 -0.749169D+01
      6   0.656535D+01 -0.964258D+01  0.903209D+01 -0.826094D+01  0.118313D+02
               171 
      1  -0.190880D+01
      2   0.122836D+01
      3   0.680440D+00
      4  -0.101680D+02
      5   0.817491D+01
      6  -0.869856D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501586D+00      0.127490D+01      0.425262D+01
   x         -0.156035D+00     -0.396600D+00     -0.132292D+01
   y         -0.239543D+00     -0.608856D+00     -0.203093D+01
   z         -0.412142D+00     -0.104756D+01     -0.349428D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.752545D+02      0.111516D+02      0.124078D+02
   aniso      0.141936D+02      0.210328D+01      0.234021D+01
   xx         0.826561D+02      0.122484D+02      0.136281D+02
   yx         0.225054D+01      0.333496D+00      0.371065D+00
   yy         0.756861D+02      0.112155D+02      0.124790D+02
   zx        -0.872645D+00     -0.129313D+00     -0.143880D+00
   zy         0.177831D+01      0.263518D+00      0.293203D+00
   zz         0.674213D+02      0.999081D+01      0.111163D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.825798D+02      0.122371D+02      0.136156D+02
   aniso      0.169896D+02      0.251760D+01      0.280120D+01
   xx         0.912418D+02      0.135206D+02      0.150437D+02
   yx         0.317564D+01      0.470581D+00      0.523592D+00
   yy         0.832258D+02      0.123328D+02      0.137221D+02
   zx        -0.120641D+01     -0.178772D+00     -0.198911D+00
   zy         0.190634D+01      0.282490D+00      0.314312D+00
   zz         0.732720D+02      0.108578D+02      0.120809D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.90593186          3.25453438          0.61880130
     6          1.88158911          0.86762348         -1.00881899
     6          0.19017088         -1.22583914          0.12243907
     6         -2.40174390         -0.14745990          0.75559996
     8         -2.73278105          0.24537777          3.25832453
     6          4.55883121         -0.12821430         -1.42067457
     7         -0.00640606         -3.34736487         -1.62753542
     8         -4.01847569          0.31470458         -0.77955007
     1          1.05581436         -1.89619419          1.87100190
     1          1.05865054          1.34533023         -2.84799768
     1         -4.40894597          0.95998834          3.47637343
     1         -0.85606360         -4.84376275         -0.78808298
     1         -1.10707157         -2.84155957         -3.11516570
     1          5.70682207          1.27766173         -2.40069455
     1          5.46784590         -0.53000369          0.39159401
     1          4.54261460         -1.86019460         -2.52912234
     1          0.03910914          4.11499039          0.77550808
     1          2.57642298          2.84101298          2.52770983
     1          3.17103297          4.65977171         -0.20264900

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501586D+00      0.127490D+01      0.425262D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.501586D+00      0.127490D+01      0.425262D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.752545D+02      0.111516D+02      0.124078D+02
   aniso      0.141936D+02      0.210328D+01      0.234021D+01
   xx         0.813922D+02      0.120611D+02      0.134198D+02
   yx        -0.708765D-01     -0.105028D-01     -0.116860D-01
   yy         0.719725D+02      0.106652D+02      0.118667D+02
   zx        -0.414836D+01     -0.614723D+00     -0.683972D+00
   zy         0.465194D+01      0.689346D+00      0.767001D+00
   zz         0.723989D+02      0.107284D+02      0.119370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.825798D+02      0.122371D+02      0.136156D+02
   aniso      0.169896D+02      0.251760D+01      0.280120D+01
   xx         0.897665D+02      0.133020D+02      0.148005D+02
   yx        -0.624220D+00     -0.924998D-01     -0.102920D+00
   yy         0.788689D+02      0.116872D+02      0.130037D+02
   zx        -0.502807D+01     -0.745083D+00     -0.829017D+00
   zy         0.563866D+01      0.835564D+00      0.929690D+00
   zz         0.791041D+02      0.117220D+02      0.130425D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F07-30\Freq\RB3LYP\Gen\C5H11N1O2\PIERPA\26-Sep-2021\0\\#P
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 WE STILL HAVE JUDGEMENT HERE,
 THAT WE TEACH BUT BLOODY INSTRUCTIONS,
 WHICH, BEING TAUGHT,
 RETURN TO PLAGUE THE INVENTOR.
           MACBETH ACT I, SCENE VII
 Job cpu time:       0 days  3 hours 43 minutes 53.3 seconds.
 Elapsed time:       0 days  0 hours 28 minutes  1.3 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 19:58:51 2021.
